1-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid

Systemtic Name: 1-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid Openeye Name: 1-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid CAS Name: 1-(1,3-benzothiazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid IUPAC Name: 1-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid Traditional Name: 1-(1,3-benzothiazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid Formula: C15H15NO4S2 MolecularWeight: 337.4139

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)(C(=O)O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(C(C1)C(=O)O)(C(=O)O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H15NO4S2/c17-12(18)9-5-3-4-8-15(9,13(19)20)22-14-16-10-6-1-2-7-11(10)21-14/h1-2,6-7,9H,3-5,8H2,(H,17,18)(H,19,20)