[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(N=CC=C1)SCC2=C(ON=C2C)C

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=C(N=CC=C1)SCC2=C(ON=C2C)C

InChI

InChI=1S/C18H23N3O4S/c1-5-11(2)20-16(22)9-24-18(23)14-7-6-8-19-17(14)26-10-15-12(3)21-25-13(15)4/h6-8,11H,5,9-10H2,1-4H3,(H,20,22)