[2-[[3,5-bis(chloranyl)-6-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)-6-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(3,5-dichloro-6-methyl-2-pyridyl)amino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloro-6-methylpyridin-2-yl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[(3,5-dichloro-6-methyl-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H15Cl2N3O3S MolecularWeight: 448.3224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C20H15Cl2N3O3S/c1-12-15(21)10-16(22)18(24-12)25-17(26)11-28-20(27)14-8-5-9-23-19(14)29-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,24,25,26)