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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(3-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-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-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-[3-(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=C3)SC

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H22N2O4S2/c1-12(23)21-19-18(15-8-3-4-9-16(15)28-19)20(25)26-11-17(24)22-13-6-5-7-14(10-13)27-2/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,21,23)(H,22,24)