3-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-hydroxy-3-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-oxo-furan-2-carboxylic acid CAS Name: 4-hydroxy-3-[(5-methoxy-1,3-benzothiazol-2-yl)thio]-2-[[(5-methoxy-1,3-benzothiazol-2-yl)thio]methyl]-5-oxo-2-furancarboxylic acid IUPAC Name: 4-hydroxy-3-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-oxofuran-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-3-[(5-methoxy-1,3-benzothiazol-2-yl)thio]-2-[[(5-methoxy-1,3-benzothiazol-2-yl)thio]methyl]-2-furoic acid Formula: C22H16N2O7S4 MolecularWeight: 548.63164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(S4)C=CC(=C5)OC)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(S4)C=CC(=C5)OC)C(=O)O

InChI

InChI=1S/C22H16N2O7S4/c1-29-10-3-5-14-12(7-10)23-20(33-14)32-9-22(19(27)28)17(16(25)18(26)31-22)35-21-24-13-8-11(30-2)4-6-15(13)34-21/h3-8,25H,9H2,1-2H3,(H,27,28)