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

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-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-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C19H19N3O4S/c1-11(17(23)21-10-13-4-3-7-25-13)26-19(24)14-8-16(12-5-6-12)22-18(27-2)15(14)9-20/h3-4,7-8,11-12H,5-6,10H2,1-2H3,(H,21,23)