[2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]ethyl] ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C19H21N3O4S2/c1-22(11-16(23)21-14-8-4-5-9-15(14)27-2)17(24)12-26-19(25)13-7-6-10-20-18(13)28-3/h4-10H,11-12H2,1-3H3,(H,21,23)