methyl 2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(3-chlorophenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H20ClNO3S/c1-24-19(23)17-14-7-2-3-8-15(14)25-18(17)21-16(22)10-9-12-5-4-6-13(20)11-12/h4-6,11H,2-3,7-10H2,1H3,(H,21,22)