2-[[4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]anilino]-2-phenyl-acetic acid CAS Name: 2-[4-[[5-(hydroxymethyl)-2-(methylthio)-1-imidazolyl]methyl]anilino]-2-phenylacetic acid IUPAC Name: 2-[4-[[5-(hydroxymethyl)-2-methylsulfanylimidazol-1-yl]methyl]anilino]-2-phenylacetic acid Traditional Name: 2-[4-[[5-methylol-2-(methylthio)imidazol-1-yl]methyl]anilino]-2-phenyl-acetic acid Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)O)CO

Isomeric SMILES

CSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)O)CO

InChI

InChI=1S/C20H21N3O3S/c1-27-20-21-11-17(13-24)23(20)12-14-7-9-16(10-8-14)22-18(19(25)26)15-5-3-2-4-6-15/h2-11,18,22,24H,12-13H2,1H3,(H,25,26)