methyl 2-(5-phenylpenta-2,4-dienoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(5-phenylpenta-2,4-dienoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(5-phenylpenta-2,4-dienoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(1-oxo-5-phenylpenta-2,4-dienyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(5-phenylpenta-2,4-dienoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(5-phenylpenta-2,4-dienoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC=CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3S/c1-25-21(24)19-16-12-6-7-13-17(16)26-20(19)22-18(23)14-8-5-11-15-9-3-2-4-10-15/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,22,23)