ethyl 5-cyano-2-methyl-6-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(3-isoxazolylamino)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(isoxazol-3-ylamino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=NOC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=NOC=C2)C

InChI

InChI=1S/C15H14N4O4S/c1-3-22-15(21)11-6-10(7-16)14(17-9(11)2)24-8-13(20)18-12-4-5-23-19-12/h4-6H,3,8H2,1-2H3,(H,18,19,20)