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

Systemtic Name: 2-(5-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(5-methyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-(5-methyl-1,3-benzothiazol-2-yl)-4-oxobutanoic acid IUPAC Name: 2-(5-methyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 4-keto-4-mercapto-2-(5-methyl-1,3-benzothiazol-2-yl)butyric acid Formula: C12H11NO3S2 MolecularWeight: 281.35064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C(CC(=O)S)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C12H11NO3S2/c1-6-2-3-9-8(4-6)13-11(18-9)7(12(15)16)5-10(14)17/h2-4,7H,5H2,1H3,(H,14,17)(H,15,16)