[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C20H22N2O4S2/c1-12(23)21-19-18(13-7-3-5-9-15(13)28-19)20(25)26-11-17(24)22-14-8-4-6-10-16(14)27-2/h4,6,8,10H,3,5,7,9,11H2,1-2H3,(H,21,23)(H,22,24)