(E)-but-2-enedioic acid; [2-[6-(dimethylamino)hexoxy]-6-methyl-pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: (E)-but-2-enedioic acid; [2-[6-(dimethylamino)hexoxy]-6-methyl-pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridyl]-(2-thienyl)methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: (E)-but-2-enedioic acid; [2-[6-(dimethylamino)hexoxy]-6-methylpyridin-3-yl]-thiophen-2-ylmethanone Traditional Name: [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridyl]-(2-thienyl)methanone; fumaric acid Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)C2=CC=CS2)OCCCCCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)C2=CC=CS2)OCCCCCCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H26N2O2S.C4H4O4/c1-15-10-11-16(18(22)17-9-8-14-24-17)19(20-15)23-13-7-5-4-6-12-21(2)3;5-3(6)1-2-4(7)8/h8-11,14H,4-7,12-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+