ethyl 6-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 6-[[2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)C

InChI

InChI=1S/C17H22N4O4S/c1-5-10(3)19-17(24)21-14(22)9-26-15-12(8-18)7-13(11(4)20-15)16(23)25-6-2/h7,10H,5-6,9H2,1-4H3,(H2,19,21,22,24)/t10-/m0/s1