ethyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Modify Date: 2025-09-18 17:20:01

ethyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure	Common Name	ethyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
	CAS Number	76981-77-6	Molecular Weight	355.45100
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₀H₂₁NO₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	ethyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Synonym	More Synonyms

Molecular Formula	C₂₀H₂₁NO₃S
Molecular Weight	355.45100
Exact Mass	355.12400
PSA	87.13000
LogP	5.10500
InChIKey	DMKUTXFEEPCGCJ-OUKQBFOZSA-N
SMILES	CCOC(=O)c1c(NC(=O)C=Cc2ccccc2)sc2c1CCCC2

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DL9609200

CHEMICAL NAME :: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((1-oxo-3-phenyl-2-propenyl)amin o)-,ethyl ester

CAS REGISTRY NUMBER :: 76981-77-6

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H21-N-O3-S

MOLECULAR WEIGHT :: 355.48

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - ptosis Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 15,413,1980

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