[2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H18Cl2N2O3S MolecularWeight: 449.35022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C(=O)COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C(=O)COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H18Cl2N2O3S/c1-12-9-16(13(2)25(12)14-6-7-17(22)18(23)10-14)19(26)11-28-21(27)15-5-4-8-24-20(15)29-3/h4-10H,11H2,1-3H3