dimethyl 2-(dimethylamino)-5-methylsulfanyl-1-(phenylmethyl)pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(dimethylamino)-5-methylsulfanyl-1-(phenylmethyl)pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 1-benzyl-2-(dimethylamino)-5-methylsulfanyl-pyrrole-3,4-dicarboxylate CAS Name: 2-(dimethylamino)-5-(methylthio)-1-(phenylmethyl)pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzyl-2-(dimethylamino)-5-methylsulfanylpyrrole-3,4-dicarboxylate Traditional Name: 1-benzyl-2-(dimethylamino)-5-(methylthio)pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=C(N1CC2=CC=CC=C2)SC)C(=O)OC)C(=O)OC

Isomeric SMILES

CN(C)C1=C(C(=C(N1CC2=CC=CC=C2)SC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H22N2O4S/c1-19(2)15-13(17(21)23-3)14(18(22)24-4)16(25-5)20(15)11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3