3-[(5-carboxy-1,3-benzothiazol-2-yl)sulfanyl]pentanedioic acid

Systemtic Name: 3-[(5-carboxy-1,3-benzothiazol-2-yl)sulfanyl]pentanedioic acid Openeye Name: 3-[(5-carboxy-1,3-benzothiazol-2-yl)sulfanyl]pentanedioic acid CAS Name: 3-[(5-carboxy-1,3-benzothiazol-2-yl)thio]pentanedioic acid IUPAC Name: 3-[(5-carboxy-1,3-benzothiazol-2-yl)sulfanyl]pentanedioic acid Traditional Name: 3-[(5-carboxy-1,3-benzothiazol-2-yl)thio]glutaric acid Formula: C13H11NO6S2 MolecularWeight: 341.35954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=C(S2)SC(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=C(S2)SC(CC(=O)O)CC(=O)O

InChI

InChI=1S/C13H11NO6S2/c15-10(16)4-7(5-11(17)18)21-13-14-8-3-6(12(19)20)1-2-9(8)22-13/h1-3,7H,4-5H2,(H,15,16)(H,17,18)(H,19,20)