[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

InChI

InChI=1S/C20H19N3O4S/c1-13-5-3-6-15(9-13)22-18(24)11-26-20(25)17-7-4-8-21-19(17)28-12-16-10-14(2)27-23-16/h3-10H,11-12H2,1-2H3,(H,22,24)