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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-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-keto-2-(sec-butylamino)ethyl] ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-4-11(2)19-15(21)9-23-17(22)14-6-5-7-18-16(14)25-10-13-8-12(3)24-20-13/h5-8,11H,4,9-10H2,1-3H3,(H,19,21)