2-(2-sulfanylidene-3H-1,3-thiazol-5-yl)heptanoic acid

Systemtic Name: 2-(2-sulfanylidene-3H-1,3-thiazol-5-yl)heptanoic acid Openeye Name: 2-(2-thioxo-3H-thiazol-5-yl)heptanoic acid CAS Name: 2-(2-sulfanylidene-3H-thiazol-5-yl)heptanoic acid IUPAC Name: 2-(2-sulfanylidene-3H-1,3-thiazol-5-yl)heptanoic acid Traditional Name: 2-(2-thioxo-4-thiazolin-5-yl)enanthic acid Formula: C10H15NO2S2 MolecularWeight: 245.3616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CNC(=S)S1)C(=O)O

Isomeric SMILES

CCCCCC(C1=CNC(=S)S1)C(=O)O

InChI

InChI=1S/C10H15NO2S2/c1-2-3-4-5-7(9(12)13)8-6-11-10(14)15-8/h6-7H,2-5H2,1H3,(H,11,14)(H,12,13)