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

Systemtic Name: dimethyl 2-[2-[2-(2-ethoxycarbonylphenyl)carbonyl-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(2-ethoxycarbonylbenzoyl)-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(2-ethoxycarbonylphenyl)-oxomethyl]-5-(methylthio)-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(2-ethoxycarbonylbenzoyl)-5-methylsulfanylpyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(2-carbethoxybenzoyl)-5-(methylthio)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)SC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)SC

InChI

InChI=1S/C22H25NO7S/c1-5-30-22(27)15-9-7-6-8-14(15)19(24)17-10-11-18(31-4)23(17)13-12-16(20(25)28-2)21(26)29-3/h6-11,16H,5,12-13H2,1-4H3