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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC1C2=CC=CC(=C2)C#N)CC3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

COC(=O)C1CN(CC1C2=CC=CC(=C2)C#N)CC3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C27H23N3O2S/c1-32-27(31)24-18-30(17-23(24)20-10-6-7-19(13-20)14-28)16-22-9-3-5-12-26(22)33-25-11-4-2-8-21(25)15-29/h2-13,23-24H,16-18H2,1H3