[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-8(2)13(14(22)21-17(19)24)25-16(23)10-6-12(9-4-5-9)20-15(26-3)11(10)7-18/h6,8-9,13H,4-5H2,1-3H3,(H3,19,21,22,24)