3-(1,3-benzothiazol-2-ylsulfanyl)pentanedioic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)pentanedioic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)pentanedioic acid CAS Name: 3-(1,3-benzothiazol-2-ylthio)pentanedioic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)pentanedioic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)glutaric acid Formula: C12H11NO4S2 MolecularWeight: 297.35004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(CC(=O)O)CC(=O)O

InChI

InChI=1S/C12H11NO4S2/c14-10(15)5-7(6-11(16)17)18-12-13-8-3-1-2-4-9(8)19-12/h1-4,7H,5-6H2,(H,14,15)(H,16,17)