dimethyl 2-[2-[3-methyl-5-methylsulfanyl-2-(phenylcarbonyl)pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[3-methyl-5-methylsulfanyl-2-(phenylcarbonyl)pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-(2-benzoyl-3-methyl-5-methylsulfanyl-pyrrol-1-yl)ethyl]propanedioate CAS Name: 2-[2-[2-benzoyl-3-methyl-5-(methylthio)-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(2-benzoyl-3-methyl-5-methylsulfanylpyrrol-1-yl)ethyl]propanedioate Traditional Name: 2-[2-[2-benzoyl-3-methyl-5-(methylthio)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)SC)CCC(C(=O)OC)C(=O)OC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(N(C(=C1)SC)CCC(C(=O)OC)C(=O)OC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H23NO5S/c1-13-12-16(27-4)21(11-10-15(19(23)25-2)20(24)26-3)17(13)18(22)14-8-6-5-7-9-14/h5-9,12,15H,10-11H2,1-4H3