ethyl 5-cyano-2-methyl-6-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(1R)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[(2R)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)NC2=NOC(=C2)C)C

InChI

InChI=1S/C17H18N4O4S/c1-5-24-17(23)13-7-12(8-18)16(19-10(13)3)26-11(4)15(22)20-14-6-9(2)25-21-14/h6-7,11H,5H2,1-4H3,(H,20,21,22)/t11-/m1/s1