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

Systemtic Name: methyl 4-(3-carbamimidoylphenyl)-1-[2-(2-cyanophenyl)sulfanylphenyl]carbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 4-(3-carbamimidoylphenyl)-1-[2-(2-cyanophenyl)sulfanylbenzoyl]pyrrolidine-3-carboxylate CAS Name: 4-(3-carbamimidoylphenyl)-1-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-carbamimidoylphenyl)-1-[2-(2-cyanophenyl)sulfanylbenzoyl]pyrrolidine-3-carboxylate Traditional Name: 4-(3-amidinophenyl)-1-[2-[(2-cyanophenyl)thio]benzoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC1C2=CC=CC(=C2)C(=N)N)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

COC(=O)C1CN(CC1C2=CC=CC(=C2)C(=N)N)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C27H24N4O3S/c1-34-27(33)22-16-31(15-21(22)17-8-6-9-18(13-17)25(29)30)26(32)20-10-3-5-12-24(20)35-23-11-4-2-7-19(23)14-28/h2-13,21-22H,15-16H2,1H3,(H3,29,30)