[2-[[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[[2-(2,3-dimethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[[2-(2,3-dimethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC(=O)C2=C(N=CC=C2)SC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC(=O)C2=C(N=CC=C2)SC)C

InChI

InChI=1S/C19H21N3O4S/c1-12-6-4-8-15(13(12)2)22-16(23)10-21-17(24)11-26-19(25)14-7-5-9-20-18(14)27-3/h4-9H,10-11H2,1-3H3,(H,21,24)(H,22,23)