(4-carbamimidoylphenyl)methyl (2E)-1-methyl-2-(2-phenylsulfanylethylidene)cyclopentane-1-carboxylate

Systemtic Name: (4-carbamimidoylphenyl)methyl (2E)-1-methyl-2-(2-phenylsulfanylethylidene)cyclopentane-1-carboxylate Openeye Name: (4-carbamimidoylphenyl)methyl (2E)-1-methyl-2-(2-phenylsulfanylethylidene)cyclopentanecarboxylate CAS Name: (2E)-1-methyl-2-[2-(phenylthio)ethylidene]-1-cyclopentanecarboxylic acid (4-carbamimidoylphenyl)methyl ester IUPAC Name: (4-carbamimidoylphenyl)methyl (2E)-1-methyl-2-(2-phenylsulfanylethylidene)cyclopentane-1-carboxylate Traditional Name: (2E)-1-methyl-2-[2-(phenylthio)ethylidene]cyclopentanecarboxylic acid (4-amidinobenzyl) ester Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC1=CCSC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC\1(CCC/C1=C\CSC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H26N2O2S/c1-23(22(26)27-16-17-9-11-18(12-10-17)21(24)25)14-5-6-19(23)13-15-28-20-7-3-2-4-8-20/h2-4,7-13H,5-6,14-16H2,1H3,(H3,24,25)/b19-13+