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

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-4-7-19-15(21)10(2)23-17(22)12-8-14(11-5-6-11)20-16(24-3)13(12)9-18/h8,10-11H,4-7H2,1-3H3,(H,19,21)