[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N2O4S2/c1-27-16-6-3-2-5-15(16)21-18(23)13-26-20(25)14-8-10-22(11-9-14)19(24)17-7-4-12-28-17/h2-7,12,14H,8-11,13H2,1H3,(H,21,23)