3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-4-oxidanyl-5-oxidanylidene-furan-2,2-dicarboxylic acid

Systemtic Name: 3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-4-oxidanyl-5-oxidanylidene-furan-2,2-dicarboxylic acid Openeye Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxy-5-oxo-furan-2,2-dicarboxylic acid CAS Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)thio]-4-hydroxy-5-oxofuran-2,2-dicarboxylic acid IUPAC Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxy-5-oxofuran-2,2-dicarboxylic acid Traditional Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)thio]-4-hydroxy-5-keto-furan-2,2-dicarboxylic acid Formula: C13H6ClNO7S2 MolecularWeight: 387.77224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(S2)SC3=C(C(=O)OC3(C(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(S2)SC3=C(C(=O)OC3(C(=O)O)C(=O)O)O

InChI

InChI=1S/C13H6ClNO7S2/c14-4-1-2-6-5(3-4)15-12(23-6)24-8-7(16)9(17)22-13(8,10(18)19)11(20)21/h1-3,16H,(H,18,19)(H,20,21)