(E)-but-2-enedioic acid; [2-[4-(dimethylaminomethyl)phenoxy]pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: (E)-but-2-enedioic acid; [2-[4-(dimethylaminomethyl)phenoxy]pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [2-[4-(dimethylaminomethyl)phenoxy]-3-pyridyl]-(2-thienyl)methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; [2-[4-(dimethylaminomethyl)phenoxy]-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: (E)-but-2-enedioic acid; [2-[4-(dimethylaminomethyl)phenoxy]pyridin-3-yl]-thiophen-2-ylmethanone Traditional Name: [2-[4-(dimethylaminomethyl)phenoxy]-3-pyridyl]-(2-thienyl)methanone; fumaric acid Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)C3=CC=CS3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)C3=CC=CS3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H18N2O2S.C4H4O4/c1-21(2)13-14-7-9-15(10-8-14)23-19-16(5-3-11-20-19)18(22)17-6-4-12-24-17;5-3(6)1-2-4(7)8/h3-12H,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+