2-octylsulfanyl-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-octylsulfanyl-1,3-thiazole-4-carboxylic acid Openeye Name: 2-octylsulfanylthiazole-4-carboxylic acid CAS Name: 2-(octylthio)-4-thiazolecarboxylic acid IUPAC Name: 2-octylsulfanyl-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(octylthio)thiazole-4-carboxylic acid Formula: C12H19NO2S2 MolecularWeight: 273.41476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=CS1)C(=O)O

Isomeric SMILES

CCCCCCCCSC1=NC(=CS1)C(=O)O

InChI

InChI=1S/C12H19NO2S2/c1-2-3-4-5-6-7-8-16-12-13-10(9-17-12)11(14)15/h9H,2-8H2,1H3,(H,14,15)