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

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H23NO3S/c1-16-7-12-21-19(13-16)14-22(29-21)24(27)28-15-17-8-10-18(11-9-17)23(26)25-20-5-3-2-4-6-20/h2-6,8-11,14,16H,7,12-13,15H2,1H3,(H,25,26)/t16-/m0/s1