[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-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-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2O4S/c1-12-10-16(23-27-12)11-28-19-17(4-3-9-22-19)20(25)26-13(2)18(24)14-5-7-15(21)8-6-14/h3-10,13H,11H2,1-2H3