(2R)-3-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methyl-amino]propyl]-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-thiazolidin-4-one; (E)-but-2-enedioic acid

Systemtic Name: (2R)-3-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methyl-amino]propyl]-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-thiazolidin-4-one; (E)-but-2-enedioic acid Openeye Name: (2R)-3-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methyl-amino]propyl]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazolidin-4-one; fumaric acid CAS Name: (2R)-3-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propyl]-2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-thiazolidinone; (E)-2-butenedioic acid IUPAC Name: (2R)-3-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propyl]-2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one; (E)-but-2-enedioic acid Traditional Name: (2R)-3-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methyl-amino]propyl]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazolidin-4-one; fumaric acid Formula: C34H46N2O9S MolecularWeight: 658.80204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2N(C(=O)CS2)CCCN(C)CCOC3=CC4=C(C=C3)OCO4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@@H]2N(C(=O)CS2)CCCN(C)CCOC3=CC4=C(C=C3)OCO4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C30H42N2O5S.C4H4O4/c1-29(2,3)22-15-20(16-23(27(22)34)30(4,5)6)28-32(26(33)18-38-28)12-8-11-31(7)13-14-35-21-9-10-24-25(17-21)37-19-36-24;5-3(6)1-2-4(7)8/h9-10,15-17,28,34H,8,11-14,18-19H2,1-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t28-;/m1./s1