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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C19H21NO3S/c1-12-4-3-5-15(9-12)20-18(21)11-23-19(22)17-10-14-8-13(2)6-7-16(14)24-17/h3-5,9-10,13H,6-8,11H2,1-2H3,(H,20,21)/t13-/m1/s1