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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-keto-2-(methylamino)ethyl] ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c1-16-12(18)7-20-14(19)9-5-11(8-3-4-8)17-13(21-2)10(9)6-15/h5,8H,3-4,7H2,1-2H3,(H,16,18)