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

Systemtic Name: methyl 4-(3-carbamimidoylphenyl)-1-[[2-(2-cyanophenyl)sulfanylphenyl]methyl]pyrrolidine-3-carboxylate Openeye Name: methyl 4-(3-carbamimidoylphenyl)-1-[[2-(2-cyanophenyl)sulfanylphenyl]methyl]pyrrolidine-3-carboxylate CAS Name: 4-(3-carbamimidoylphenyl)-1-[[2-[(2-cyanophenyl)thio]phenyl]methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-carbamimidoylphenyl)-1-[[2-(2-cyanophenyl)sulfanylphenyl]methyl]pyrrolidine-3-carboxylate Traditional Name: 4-(3-amidinophenyl)-1-[2-[(2-cyanophenyl)thio]benzyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2S/c1-33-27(32)23-17-31(16-22(23)18-9-6-10-19(13-18)26(29)30)15-21-8-3-5-12-25(21)34-24-11-4-2-7-20(24)14-28/h2-13,22-23H,15-17H2,1H3,(H3,29,30)