3,4-bis[(3-ethyl-2H-1,3-benzoxazol-2-yl)sulfanyl]hexanedioic acid

Systemtic Name: 3,4-bis[(3-ethyl-2H-1,3-benzoxazol-2-yl)sulfanyl]hexanedioic acid Openeye Name: 3,4-bis[(3-ethyl-2H-1,3-benzoxazol-2-yl)sulfanyl]hexanedioic acid CAS Name: 3,4-bis[(3-ethyl-2H-1,3-benzoxazol-2-yl)thio]hexanedioic acid IUPAC Name: 3,4-bis[(3-ethyl-2H-1,3-benzoxazol-2-yl)sulfanyl]hexanedioic acid Traditional Name: 3,4-bis[(3-ethyl-2H-1,3-benzoxazol-2-yl)thio]adipic acid Formula: C24H28N2O6S2 MolecularWeight: 504.61892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(OC2=CC=CC=C21)SC(CC(=O)O)C(CC(=O)O)SC3N(C4=CC=CC=C4O3)CC

Isomeric SMILES

CCN1C(OC2=CC=CC=C21)SC(CC(=O)O)C(CC(=O)O)SC3N(C4=CC=CC=C4O3)CC

InChI

InChI=1S/C24H28N2O6S2/c1-3-25-15-9-5-7-11-17(15)31-23(25)33-19(13-21(27)28)20(14-22(29)30)34-24-26(4-2)16-10-6-8-12-18(16)32-24/h5-12,19-20,23-24H,3-4,13-14H2,1-2H3,(H,27,28)(H,29,30)