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

Systemtic Name: 2-(6-nitro-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-(6-nitro-1,3-benzothiazol-2-yl)-4-oxobutanoic acid IUPAC Name: 2-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 4-keto-4-mercapto-2-(6-nitro-1,3-benzothiazol-2-yl)butyric acid Formula: C11H8N2O5S2 MolecularWeight: 312.32162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C11H8N2O5S2/c14-9(19)4-6(11(15)16)10-12-7-2-1-5(13(17)18)3-8(7)20-10/h1-3,6H,4H2,(H,14,19)(H,15,16)