[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC(=NC(=C1C#N)SC)C2CC2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC(=NC(=C1C#N)SC)C2CC2

InChI

InChI=1S/C18H22N4O4S/c1-10(2)8-20-18(25)22-15(23)9-26-17(24)12-6-14(11-4-5-11)21-16(27-3)13(12)7-19/h6,10-11H,4-5,8-9H2,1-3H3,(H2,20,22,23,25)