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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-5-oxidanylidene-2H-furan-2-carboxylic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-5-oxo-2H-furan-2-carboxylic acid CAS Name: 3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-5-oxo-2H-furan-2-carboxylic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-5-oxo-2H-furan-2-carboxylic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-5-keto-2H-furan-2-carboxylic acid Formula: C12H7NO5S2 MolecularWeight: 309.31768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C(=O)OC3C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C(=O)OC3C(=O)O)O

InChI

InChI=1S/C12H7NO5S2/c14-7-9(8(10(15)16)18-11(7)17)20-12-13-5-3-1-2-4-6(5)19-12/h1-4,8,14H,(H,15,16)