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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1R)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[(2R)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC(=O)NC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)NC(=O)NC(C)C)C

InChI

InChI=1S/C17H22N4O4S/c1-6-25-16(23)13-7-12(8-18)15(20-10(13)4)26-11(5)14(22)21-17(24)19-9(2)3/h7,9,11H,6H2,1-5H3,(H2,19,21,22,24)/t11-/m1/s1