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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-oxo-2-(propylamino)ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)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-(propylamino)ethyl] ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1=C(N=CC=C1)SCC2=NOC(=C2)C

Isomeric SMILES

CCCNC(=O)COC(=O)C1=C(N=CC=C1)SCC2=NOC(=C2)C

InChI

InChI=1S/C16H19N3O4S/c1-3-6-17-14(20)9-22-16(21)13-5-4-7-18-15(13)24-10-12-8-11(2)23-19-12/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,17,20)