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

Systemtic Name: 2-[5-(dimethylamino)-1,3-benzothiazol-2-yl]-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-[5-(dimethylamino)-1,3-benzothiazol-2-yl]-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-[5-(dimethylamino)-1,3-benzothiazol-2-yl]-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-[5-(dimethylamino)-1,3-benzothiazol-2-yl]-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-[5-(dimethylamino)-1,3-benzothiazol-2-yl]-4-keto-4-mercapto-butyric acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S2/c1-15(2)7-3-4-10-9(5-7)14-12(20-10)8(13(17)18)6-11(16)19/h3-5,8H,6H2,1-2H3,(H,16,19)(H,17,18)