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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4S/c1-5-23-14(21)11-6-10(7-16)13(18-8(11)2)24-9(3)12(20)19-15(22)17-4/h6,9H,5H2,1-4H3,(H2,17,19,20,22)