(E)-but-2-enedioic acid; [2-(dimethylamino)-2-thiophen-2-yl-butyl] 3,4,5-trimethoxybenzoate

Systemtic Name: (E)-but-2-enedioic acid; [2-(dimethylamino)-2-thiophen-2-yl-butyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(dimethylamino)-2-(2-thienyl)butyl] 3,4,5-trimethoxybenzoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-thiophen-2-ylbutyl] ester IUPAC Name: (E)-but-2-enedioic acid; [2-(dimethylamino)-2-thiophen-2-ylbutyl] 3,4,5-trimethoxybenzoate Traditional Name: fumaric acid; 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-(2-thienyl)butyl] ester Formula: C24H31NO9S MolecularWeight: 509.56924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CS2)N(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CS2)N(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H27NO5S.C4H4O4/c1-7-20(21(2)3,17-9-8-10-27-17)13-26-19(22)14-11-15(23-4)18(25-6)16(12-14)24-5;5-3(6)1-2-4(7)8/h8-12H,7,13H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+