2-(2-hexylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanoic acid

Systemtic Name: 2-(2-hexylsulfanyl-4-methyl-1,3-thiazol-5-yl)ethanoic acid Openeye Name: 2-(2-hexylsulfanyl-4-methyl-thiazol-5-yl)acetic acid CAS Name: 2-[2-(hexylthio)-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-(2-hexylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid Traditional Name: 2-[2-(hexylthio)-4-methyl-thiazol-5-yl]acetic acid Formula: C12H19NO2S2 MolecularWeight: 273.41476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=C(S1)CC(=O)O)C

Isomeric SMILES

CCCCCCSC1=NC(=C(S1)CC(=O)O)C

InChI

InChI=1S/C12H19NO2S2/c1-3-4-5-6-7-16-12-13-9(2)10(17-12)8-11(14)15/h3-8H2,1-2H3,(H,14,15)