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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC(=NC(=C1C#N)SC)C2CC2

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC(=NC(=C1C#N)SC)C2CC2

InChI

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