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

Systemtic Name: 2-[[4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[[5-(hydroxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[5-(hydroxymethyl)-2-(methylthio)-1-imidazolyl]methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[[5-(hydroxymethyl)-2-methylsulfanylimidazol-1-yl]methyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[5-methylol-2-(methylthio)imidazol-1-yl]methyl]phenyl]carbamoyl]benzoic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)CO

Isomeric SMILES

CSC1=NC=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)CO

InChI

InChI=1S/C20H19N3O4S/c1-28-20-21-10-15(12-24)23(20)11-13-6-8-14(9-7-13)22-18(25)16-4-2-3-5-17(16)19(26)27/h2-10,24H,11-12H2,1H3,(H,22,25)(H,26,27)