[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-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-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-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-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C21H18FN3O5S MolecularWeight: 443.448123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3O5S/c1-12-8-15(25-30-12)11-31-20-17(4-3-7-23-20)21(28)29-10-19(27)16-6-5-14(9-18(16)22)24-13(2)26/h3-9H,10-11H2,1-2H3,(H,24,26)