2-[2-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(4-methoxy-4-oxo-butyl)sulfanylthiazol-5-yl]acetic acid CAS Name: 2-[2-[(4-methoxy-4-oxobutyl)thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(4-methoxy-4-oxobutyl)sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(4-keto-4-methoxy-butyl)thio]thiazol-5-yl]acetic acid Formula: C10H13NO4S2 MolecularWeight: 275.34452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=NC=C(S1)CC(=O)O

Isomeric SMILES

COC(=O)CCCSC1=NC=C(S1)CC(=O)O

InChI

InChI=1S/C10H13NO4S2/c1-15-9(14)3-2-4-16-10-11-6-7(17-10)5-8(12)13/h6H,2-5H2,1H3,(H,12,13)