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

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

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2S/c1-31-16-21(17-9-7-10-18(14-17)26(29)30)24(27(32)33-2)25(31)20-11-4-6-13-23(20)34-22-12-5-3-8-19(22)15-28/h3-14,21,24-25H,16H2,1-2H3,(H3,29,30)