methyl 4-(3-cyanophenyl)-2-[2-(2-cyanophenyl)sulfanylphenyl]-1-methyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 4-(3-cyanophenyl)-2-[2-(2-cyanophenyl)sulfanylphenyl]-1-methyl-pyrrolidine-3-carboxylate Openeye Name: methyl 4-(3-cyanophenyl)-2-[2-(2-cyanophenyl)sulfanylphenyl]-1-methyl-pyrrolidine-3-carboxylate CAS Name: 4-(3-cyanophenyl)-2-[2-[(2-cyanophenyl)thio]phenyl]-1-methyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-cyanophenyl)-2-[2-(2-cyanophenyl)sulfanylphenyl]-1-methylpyrrolidine-3-carboxylate Traditional Name: 4-(3-cyanophenyl)-2-[2-[(2-cyanophenyl)thio]phenyl]-1-methyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C27H23N3O2S MolecularWeight: 453.55542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(C1C2=CC=CC=C2SC3=CC=CC=C3C#N)C(=O)OC)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN1CC(C(C1C2=CC=CC=C2SC3=CC=CC=C3C#N)C(=O)OC)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H23N3O2S/c1-30-17-22(19-10-7-8-18(14-19)15-28)25(27(31)32-2)26(30)21-11-4-6-13-24(21)33-23-12-5-3-9-20(23)16-29/h3-14,22,25-26H,17H2,1-2H3