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

Systemtic Name: 2-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(6-chloro-1,3-benzothiazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(6-chloro-1,3-benzothiazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C11H8ClNO3S2 MolecularWeight: 301.76912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)SC(=N2)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)SC(=N2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C11H8ClNO3S2/c12-5-1-2-7-8(3-5)18-10(13-7)6(11(15)16)4-9(14)17/h1-3,6H,4H2,(H,14,17)(H,15,16)