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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-(methylcarbamoylamino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-(methylcarbamoylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(methylcarbamoylamino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O4S/c1-4-22-13(20)10-5-9(6-15)12(17-8(10)2)23-7-11(19)18-14(21)16-3/h5H,4,7H2,1-3H3,(H2,16,18,19,21)