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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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