4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-(ethylthio)-5-(hydroxymethyl)-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-(ethylthio)-5-methylol-imidazol-1-yl]methyl]benzoic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-2-20-14-15-7-12(9-17)16(14)8-10-3-5-11(6-4-10)13(18)19/h3-7,17H,2,8-9H2,1H3,(H,18,19)