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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-15-12-17(24-28-15)14-29-20-18(8-5-10-23-20)21(26)27-13-19(25)22-11-9-16-6-3-2-4-7-16/h2-8,10,12H,9,11,13-14H2,1H3,(H,22,25)