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

Systemtic Name: 2-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C12H10ClNO3S2 MolecularWeight: 315.7957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)C(CC(=O)S)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)C(CC(=O)S)C(=O)O)Cl

InChI

InChI=1S/C12H10ClNO3S2/c1-5-2-6(13)3-8-10(5)14-11(19-8)7(12(16)17)4-9(15)18/h2-3,7H,4H2,1H3,(H,15,18)(H,16,17)