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

Systemtic Name: dimethyl 2-[2-[2-(4-chlorophenyl)carbonyl-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(4-chlorobenzoyl)-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(4-chlorophenyl)-oxomethyl]-5-(methylthio)-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(4-chlorobenzoyl)-5-methylsulfanylpyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(4-chlorobenzoyl)-5-(methylthio)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=CC=C1SC)C(=O)C2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C(=CC=C1SC)C(=O)C2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C19H20ClNO5S/c1-25-18(23)14(19(24)26-2)10-11-21-15(8-9-16(21)27-3)17(22)12-4-6-13(20)7-5-12/h4-9,14H,10-11H2,1-3H3