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

Systemtic Name: 2-[[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]anilino]-2-phenyl-acetic acid CAS Name: 2-[4-[[2-(ethylthio)-5-(hydroxymethyl)-1-imidazolyl]methyl]anilino]-2-phenylacetic acid IUPAC Name: 2-[4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]anilino]-2-phenylacetic acid Traditional Name: 2-[4-[[2-(ethylthio)-5-methylol-imidazol-1-yl]methyl]anilino]-2-phenyl-acetic acid Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)O)CO

Isomeric SMILES

CCSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)O)CO

InChI

InChI=1S/C21H23N3O3S/c1-2-28-21-22-12-18(14-25)24(21)13-15-8-10-17(11-9-15)23-19(20(26)27)16-6-4-3-5-7-16/h3-12,19,23,25H,2,13-14H2,1H3,(H,26,27)