[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H19Cl2N3O3S MolecularWeight: 464.36486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C21H19Cl2N3O3S/c1-11(14-6-5-13(22)7-17(14)23)25-19(27)10-29-21(28)15-8-18(12-3-4-12)26-20(30-2)16(15)9-24/h5-8,11-12H,3-4,10H2,1-2H3,(H,25,27)