dimethyl 2-(2-methylsulfanyl-2-phenyl-ethenyl)-1-(phenylmethyl)pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(2-methylsulfanyl-2-phenyl-ethenyl)-1-(phenylmethyl)pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 1-benzyl-2-(2-methylsulfanyl-2-phenyl-vinyl)pyrrole-3,4-dicarboxylate CAS Name: 2-[2-(methylthio)-2-phenylethenyl]-1-(phenylmethyl)pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzyl-2-(2-methylsulfanyl-2-phenylethenyl)pyrrole-3,4-dicarboxylate Traditional Name: 1-benzyl-2-[2-(methylthio)-2-phenyl-vinyl]pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C24H23NO4S MolecularWeight: 421.50872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=C1C(=O)OC)C=C(C2=CC=CC=C2)SC)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(C(=C1C(=O)OC)C=C(C2=CC=CC=C2)SC)CC3=CC=CC=C3

InChI

InChI=1S/C24H23NO4S/c1-28-23(26)19-16-25(15-17-10-6-4-7-11-17)20(22(19)24(27)29-2)14-21(30-3)18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3