dimethyl 2-(4-fluorophenyl)-1-prop-2-enyl-5-thiophen-2-yl-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(4-fluorophenyl)-1-prop-2-enyl-5-thiophen-2-yl-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 1-allyl-2-(4-fluorophenyl)-5-(2-thienyl)pyrrole-3,4-dicarboxylate CAS Name: 2-(4-fluorophenyl)-1-prop-2-enyl-5-thiophen-2-ylpyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(4-fluorophenyl)-1-prop-2-enyl-5-thiophen-2-ylpyrrole-3,4-dicarboxylate Traditional Name: 1-allyl-2-(4-fluorophenyl)-5-(2-thienyl)pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=C1C(=O)OC)C2=CC=CS2)CC=C)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(N(C(=C1C(=O)OC)C2=CC=CS2)CC=C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FNO4S/c1-4-11-23-18(13-7-9-14(22)10-8-13)16(20(24)26-2)17(21(25)27-3)19(23)15-6-5-12-28-15/h4-10,12H,1,11H2,2-3H3