[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2-(methylamino)pyridine-3-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2-(methylamino)pyridine-3-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 6-methyl-2-(methylamino)pyridine-3-carboxylate CAS Name: 6-methyl-2-(methylamino)-3-pyridinecarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 6-methyl-2-(methylamino)pyridine-3-carboxylate Traditional Name: 6-methyl-2-(methylamino)nicotinic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)NC

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)NC

InChI

InChI=1S/C17H19N3O3S/c1-11-7-8-14(16(18-2)19-11)17(22)23-10-15(21)20-12-5-4-6-13(9-12)24-3/h4-9H,10H2,1-3H3,(H,18,19)(H,20,21)