3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-5-oxidanylidene-furan-2,2-dicarboxylic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-5-oxidanylidene-furan-2,2-dicarboxylic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-5-oxo-furan-2,2-dicarboxylic acid CAS Name: 3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-5-oxofuran-2,2-dicarboxylic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-5-oxofuran-2,2-dicarboxylic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-5-keto-furan-2,2-dicarboxylic acid Formula: C13H7NO7S2 MolecularWeight: 353.32718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C(=O)OC3(C(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C(=O)OC3(C(=O)O)C(=O)O)O

InChI

InChI=1S/C13H7NO7S2/c15-7-8(13(10(17)18,11(19)20)21-9(7)16)23-12-14-5-3-1-2-4-6(5)22-12/h1-4,15H,(H,17,18)(H,19,20)