[1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-11(2)23(12(3)4)19(24)13(5)26-20(25)15-9-17(14-7-8-14)22-18(27-6)16(15)10-21/h9,11-14H,7-8H2,1-6H3