(3-cyanophenyl)methyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: (3-cyanophenyl)methyl 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid (3-cyanobenzyl) ester Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18N2O2S/c1-14-9-19(15(2)22(14)12-18-7-4-8-25-18)20(23)24-13-17-6-3-5-16(10-17)11-21/h3-10H,12-13H2,1-2H3