(E)-but-2-enedioic acid; 3-hexan-2-yloxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole

Systemtic Name: (E)-but-2-enedioic acid; 3-hexan-2-yloxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole Openeye Name: fumaric acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(1-methylpentoxy)-1,2,5-thiadiazole CAS Name: (E)-2-butenedioic acid; 3-hexan-2-yloxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole IUPAC Name: (E)-but-2-enedioic acid; 3-hexan-2-yloxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole Traditional Name: fumaric acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(1-methylpentoxy)-1,2,5-thiadiazole Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC1=NSN=C1C2=CCCN(C2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(C)OC1=NSN=C1C2=CCCN(C2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H23N3OS.C4H4O4/c1-4-5-7-11(2)18-14-13(15-19-16-14)12-8-6-9-17(3)10-12;5-3(6)1-2-4(7)8/h8,11H,4-7,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+