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

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] (6R)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] (6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC=CC=C3C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C19H21NO3S/c1-12-7-8-14-15(11-24-17(14)9-12)19(22)23-10-18(21)20-16-6-4-3-5-13(16)2/h3-6,11-12H,7-10H2,1-2H3,(H,20,21)/t12-/m1/s1