dimethyl 2-[2-[3-chloranyl-2-(4-chlorophenyl)carbonyl-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[3-chloranyl-2-(4-chlorophenyl)carbonyl-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[3-chloro-2-(4-chlorobenzoyl)-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[3-chloro-2-[(4-chlorophenyl)-oxomethyl]-5-(methylthio)-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[3-chloro-2-(4-chlorobenzoyl)-5-methylsulfanylpyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[3-chloro-2-(4-chlorobenzoyl)-5-(methylthio)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C19H19Cl2NO5S MolecularWeight: 444.32886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)Cl)SC)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)Cl)SC)C(=O)OC

InChI

InChI=1S/C19H19Cl2NO5S/c1-26-18(24)13(19(25)27-2)8-9-22-15(28-3)10-14(21)16(22)17(23)11-4-6-12(20)7-5-11/h4-7,10,13H,8-9H2,1-3H3