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

Systemtic Name: dimethyl 2-[2-[2-methylsulfanyl-5-(4-propanoylphenyl)carbonyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-methylsulfanyl-5-(4-propanoylbenzoyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-(methylthio)-5-[oxo-[4-(1-oxopropyl)phenyl]methyl]-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-methylsulfanyl-5-(4-propanoylbenzoyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(methylthio)-5-(4-propionylbenzoyl)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)SC

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)SC

InChI

InChI=1S/C22H25NO6S/c1-5-18(24)14-6-8-15(9-7-14)20(25)17-10-11-19(30-4)23(17)13-12-16(21(26)28-2)22(27)29-3/h6-11,16H,5,12-13H2,1-4H3