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

Systemtic Name: 2-(5-aminocarbonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(5-carbamoyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(5-carbamoyl-1,3-benzothiazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(5-carbamoyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(5-carbamoyl-1,3-benzothiazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C12H10N2O4S2 MolecularWeight: 310.3488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)N)N=C(S2)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)N)N=C(S2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C12H10N2O4S2/c13-10(16)5-1-2-8-7(3-5)14-11(20-8)6(12(17)18)4-9(15)19/h1-3,6H,4H2,(H2,13,16)(H,15,19)(H,17,18)