2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanyl-ethanoic acid

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanyl-ethanoic acid Openeye Name: 2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-sulfanyl-acetic acid CAS Name: 2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-2-mercaptoacetic acid IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-sulfanylacetic acid Traditional Name: 2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-mercapto-acetic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C(C(=O)O)S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)C(C(=O)O)S)OC

InChI

InChI=1S/C13H13NO4S2/c1-17-9-4-3-7(5-10(9)18-2)8-6-20-12(14-8)11(19)13(15)16/h3-6,11,19H,1-2H3,(H,15,16)