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

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(ethoxycarbonylamino)-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-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-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-(carbethoxyamino)-2-keto-ethyl] ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-4-24-17(23)19-14(21)8-25-16(22)12-6-5-7-18-15(12)27-9-13-10(2)20-26-11(13)3/h5-7H,4,8-9H2,1-3H3,(H,19,21,23)