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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N4O4S/c1-30-19-16(10-22)15(9-17(24-19)14-7-8-14)20(27)29-12-18(26)25-21(28)23-11-13-5-3-2-4-6-13/h2-6,9,14H,7-8,11-12H2,1H3,(H2,23,25,26,28)