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

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [1-methyl-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 [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-13-6-4-7-16(10-13)23-19(25)15(3)27-21(26)18-8-5-9-22-20(18)29-12-17-11-14(2)28-24-17/h4-11,15H,12H2,1-3H3,(H,23,25)