methyl 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methylsulfanyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methylsulfanyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methylsulfanyl-phenoxy]acetate CAS Name: 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-(methylthio)phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methylsulfanylphenoxy]acetate Traditional Name: 2-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-(methylthio)phenoxy]acetic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)SC

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)SC

InChI

InChI=1S/C20H20N4O3S/c1-26-18(25)11-27-16-8-7-14(9-17(16)28-2)20-23-10-15(24-20)12-3-5-13(6-4-12)19(21)22/h3-10H,11H2,1-2H3,(H3,21,22)(H,23,24)