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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(1,3-benzothiazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C11H9NO3S2 MolecularWeight: 267.32406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C11H9NO3S2/c13-9(16)5-6(11(14)15)10-12-7-3-1-2-4-8(7)17-10/h1-4,6H,5H2,(H,13,16)(H,14,15)