dimethyl 5-[2,5-dimethyl-3-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyl)pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2,5-dimethyl-3-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyl)pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2,5-dimethyl-3-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[2,5-dimethyl-3-[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]-1-pyrrolyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2,5-dimethyl-3-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[2,5-dimethyl-3-[2-(pyrrolidine-1-carbothioylthio)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC(=S)N3CCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C23H26N2O5S2/c1-14-9-19(20(26)13-32-23(31)24-7-5-6-8-24)15(2)25(14)18-11-16(21(27)29-3)10-17(12-18)22(28)30-4/h9-12H,5-8,13H2,1-4H3