2-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(6-ethoxy-1,3-benzothiazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(6-ethoxy-1,3-benzothiazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)C(CC(=O)S)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C13H13NO4S2/c1-2-18-7-3-4-9-10(5-7)20-12(14-9)8(13(16)17)6-11(15)19/h3-5,8H,2,6H2,1H3,(H,15,19)(H,16,17)