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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-18(2,3)22-17(25)21-14(23)9-26-16(24)11-7-13(10-5-6-10)20-15(27-4)12(11)8-19/h7,10H,5-6,9H2,1-4H3,(H2,21,22,23,25)