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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(N1)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)CO

Isomeric SMILES

CSC1=NC(=C(N1)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)CO

InChI

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