[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18N2O3S/c1-12-2-7-15-16(11-25-17(15)8-12)19(23)24-10-18(22)21-14-5-3-13(9-20)4-6-14/h3-6,11-12H,2,7-8,10H2,1H3,(H,21,22)/t12-/m0/s1