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

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O4S/c1-14-12-17(24-28-14)13-29-20-18(4-2-10-23-20)21(26)27-11-3-5-19(25)15-6-8-16(22)9-7-15/h2,4,6-10,12H,3,5,11,13H2,1H3