methyl 4-(3-cyanophenyl)-2-[[3-(2-cyanophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylate

Systemtic Name: methyl 4-(3-cyanophenyl)-2-[[3-(2-cyanophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylate Openeye Name: methyl 4-(3-cyanophenyl)-2-[[3-(2-cyanophenyl)-2-thienyl]methyl]pyrrolidine-3-carboxylate CAS Name: 4-(3-cyanophenyl)-2-[[3-(2-cyanophenyl)-2-thiophenyl]methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-cyanophenyl)-2-[[3-(2-cyanophenyl)thiophen-2-yl]methyl]pyrrolidine-3-carboxylate Traditional Name: 4-(3-cyanophenyl)-2-[[3-(2-cyanophenyl)-2-thienyl]methyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CNC1CC2=C(C=CS2)C3=CC=CC=C3C#N)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC(=O)C1C(CNC1CC2=C(C=CS2)C3=CC=CC=C3C#N)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H21N3O2S/c1-30-25(29)24-21(17-7-4-5-16(11-17)13-26)15-28-22(24)12-23-20(9-10-31-23)19-8-3-2-6-18(19)14-27/h2-11,21-22,24,28H,12,15H2,1H3