4-[[2-butyl-5-(2-oxidanylpropanoylsulfanylmethyl)imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-(2-oxidanylpropanoylsulfanylmethyl)imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-(2-hydroxypropanoylsulfanylmethyl)imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[[(2-hydroxy-1-oxopropyl)thio]methyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-(2-hydroxypropanoylsulfanylmethyl)imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[(lactoylthio)methyl]imidazol-1-yl]methyl]benzoic acid Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CSC(=O)C(C)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CSC(=O)C(C)O

InChI

InChI=1S/C19H24N2O4S/c1-3-4-5-17-20-10-16(12-26-19(25)13(2)22)21(17)11-14-6-8-15(9-7-14)18(23)24/h6-10,13,22H,3-5,11-12H2,1-2H3,(H,23,24)