4-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid CAS Name: 4-(1,3-benzothiazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylic acid Traditional Name: 4-(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:

C1CC(C(CC1SC2=NC3=CC=CC=C3S2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(C(CC1SC2=NC3=CC=CC=C3S2)C(=O)O)C(=O)O

InChI

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