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

Systemtic Name: (E)-but-2-enedioic acid; 3-heptan-3-yloxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole Openeye Name: 3-(1-ethylpentoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-heptan-3-yloxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole IUPAC Name: (E)-but-2-enedioic acid; 3-heptan-3-yloxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole Traditional Name: 3-(1-ethylpentoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; fumaric acid Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3OS.C4H4O4/c1-4-6-9-13(5-2)19-15-14(16-20-17-15)12-8-7-10-18(3)11-12;5-3(6)1-2-4(7)8/h8,13H,4-7,9-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+