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

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-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-(1-phenylethylamino)ethyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-14-12-18(25-29-14)13-30-21-19(10-7-11-23-21)22(27)28-16(3)20(26)24-15(2)17-8-5-4-6-9-17/h4-12,15-16H,13H2,1-3H3,(H,24,26)