[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H24N4O4S/c1-30-17-5-3-16(4-6-17)24-19(26)13-29-21(28)14-8-10-25(11-9-14)18-7-2-15(12-23-18)20(22)27/h2-7,12,14H,8-11,13H2,1H3,(H2,22,27)(H,24,26)