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

Systemtic Name: methyl 4-(3-carbamimidoylphenyl)-1-[2-(2-cyanophenyl)sulfanylphenyl]-2-(oxidanylidenemethylidene)pyrrolidine-3-carboxylate Openeye Name: methyl 4-(3-carbamimidoylphenyl)-1-[2-(2-cyanophenyl)sulfanylphenyl]-2-(oxomethylene)pyrrolidine-3-carboxylate CAS Name: 4-(3-carbamimidoylphenyl)-1-[2-[(2-cyanophenyl)thio]phenyl]-2-(oxomethylidene)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-carbamimidoylphenyl)-1-[2-(2-cyanophenyl)sulfanylphenyl]-2-(oxomethylidene)pyrrolidine-3-carboxylate Traditional Name: 4-(3-amidinophenyl)-1-[2-[(2-cyanophenyl)thio]phenyl]-2-(ketomethylene)pyrrolidine-3-carboxylic acid methyl ester Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CN(C1=C=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

COC(=O)C1C(CN(C1=C=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C27H22N4O3S/c1-34-27(33)25-20(17-8-6-9-18(13-17)26(29)30)15-31(22(25)16-32)21-10-3-5-12-24(21)35-23-11-4-2-7-19(23)14-28/h2-13,20,25H,15H2,1H3,(H3,29,30)