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

Systemtic Name: [2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(2-methoxycarbonylanilino)-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-(2-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxycarbonylanilino)-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-(2-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-12-7-8-13-15(11-27-17(13)9-12)20(24)26-10-18(22)21-16-6-4-3-5-14(16)19(23)25-2/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)/t12-/m0/s1