6-[1-(4-methyl-1,3-thiazol-5-yl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanylhexanoic acid

Systemtic Name: 6-[1-(4-methyl-1,3-thiazol-5-yl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanylhexanoic acid Openeye Name: 6-[2-hydroxy-1-(4-methylthiazol-5-yl)-2-oxo-ethyl]sulfanylhexanoic acid CAS Name: 6-[[2-hydroxy-1-(4-methyl-5-thiazolyl)-2-oxoethyl]thio]hexanoic acid IUPAC Name: 6-[2-hydroxy-1-(4-methyl-1,3-thiazol-5-yl)-2-oxoethyl]sulfanylhexanoic acid Traditional Name: 6-[[2-hydroxy-2-keto-1-(4-methylthiazol-5-yl)ethyl]thio]hexanoic acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(C(=O)O)SCCCCCC(=O)O

Isomeric SMILES

CC1=C(SC=N1)C(C(=O)O)SCCCCCC(=O)O

InChI

InChI=1S/C12H17NO4S2/c1-8-10(19-7-13-8)11(12(16)17)18-6-4-2-3-5-9(14)15/h7,11H,2-6H2,1H3,(H,14,15)(H,16,17)