2,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 2,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 2,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-oxo-furan-2-carboxylic acid CAS Name: 2,3-bis[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-oxo-2-furancarboxylic acid IUPAC Name: 2,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-oxofuran-2-carboxylic acid Traditional Name: 2,3-bis[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-keto-2-furoic acid Formula: C21H14N2O5S4 MolecularWeight: 502.60626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=C(C(=O)OC3(CSC4=NC5=CC=CC=C5S4)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=C(C(=O)OC3(CSC4=NC5=CC=CC=C5S4)C(=O)O)O

InChI

InChI=1S/C21H14N2O5S4/c24-16-11(9-29-19-22-12-5-1-3-7-14(12)31-19)21(18(26)27,28-17(16)25)10-30-20-23-13-6-2-4-8-15(13)32-20/h1-8,24H,9-10H2,(H,26,27)