[4-(phenylcarbamoyl)phenyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H21NO3S/c25-22(24-19-7-2-1-3-8-19)17-12-10-16(11-13-17)15-27-23(26)21-14-18-6-4-5-9-20(18)28-21/h1-3,7-8,10-14H,4-6,9,15H2,(H,24,25)