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

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(3-methoxyanilino)-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-(3-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyanilino)-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-keto-2-(m-anisidino)ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c1-12-6-7-15-16(11-25-17(15)8-12)19(22)24-10-18(21)20-13-4-3-5-14(9-13)23-2/h3-5,9,11-12H,6-8,10H2,1-2H3,(H,20,21)/t12-/m0/s1