2-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxylic acid

Systemtic Name: 2-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxylic acid Openeye Name: 2-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxylic acid CAS Name: 2-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxylic acid IUPAC Name: 2-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxylic acid Traditional Name: 2-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxylic acid Formula: C15H23NO4S MolecularWeight: 313.41242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)NC(S2)C3CC(CCC3C(=O)O)C(=O)O

Isomeric SMILES

C1CCC2C(C1)NC(S2)C3CC(CCC3C(=O)O)C(=O)O

InChI

InChI=1S/C15H23NO4S/c17-14(18)8-5-6-9(15(19)20)10(7-8)13-16-11-3-1-2-4-12(11)21-13/h8-13,16H,1-7H2,(H,17,18)(H,19,20)