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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(1-ethylpropylamino)-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-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 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-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-5-14(6-2)21-17(23)10-25-19(24)15-8-7-9-20-18(15)27-11-16-12(3)22-26-13(16)4/h7-9,14H,5-6,10-11H2,1-4H3,(H,21,23)