2-[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]-4-oxo-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]-4-oxobutanoic acid IUPAC Name: 2-[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]-4-oxo-4-sulfanylbutanoic acid Traditional Name: 4-keto-4-mercapto-2-[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]butyric acid Formula: C13H12N2O4S2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4S2/c1-14-11(17)6-2-3-9-8(4-6)15-12(21-9)7(13(18)19)5-10(16)20/h2-4,7H,5H2,1H3,(H,14,17)(H,16,20)(H,18,19)