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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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