[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-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-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C20H18N4O5S/c1-12-9-15(24-29-12)11-30-19-16(3-2-8-22-19)20(27)28-10-17(25)23-14-6-4-13(5-7-14)18(21)26/h2-9H,10-11H2,1H3,(H2,21,26)(H,23,25)