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

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S2/c1-12-6-7-16-13(8-12)9-17(26-16)19(22)25-11-18(21)20-14-4-3-5-15(10-14)27(2,23)24/h3-5,9-10,12H,6-8,11H2,1-2H3,(H,20,21)/t12-/m0/s1