2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methylsulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methylsulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methylsulfanyl-phenoxy]acetic acid CAS Name: 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-(methylthio)phenoxy]acetic acid IUPAC Name: 2-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methylsulfanylphenoxy]acetic acid Traditional Name: 2-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-(methylthio)phenoxy]acetic acid Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)OCC(=O)O

Isomeric SMILES

CSC1=C(C=CC(=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)OCC(=O)O

InChI

InChI=1S/C19H18N4O3S/c1-27-16-8-13(6-7-15(16)26-10-17(24)25)19-22-9-14(23-19)11-2-4-12(5-3-11)18(20)21/h2-9H,10H2,1H3,(H3,20,21)(H,22,23)(H,24,25)