2-(5-ethoxycarbonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-(5-ethoxycarbonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(5-ethoxycarbonyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(5-ethoxycarbonyl-1,3-benzothiazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(5-ethoxycarbonyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(5-carbethoxy-1,3-benzothiazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C14H13NO5S2 MolecularWeight: 339.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC(=N2)C(CC(=O)S)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC(=N2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C14H13NO5S2/c1-2-20-14(19)7-3-4-10-9(5-7)15-12(22-10)8(13(17)18)6-11(16)21/h3-5,8H,2,6H2,1H3,(H,16,21)(H,17,18)