ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-octoxy-1,2,5-thiadiazole

Systemtic Name: ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-octoxy-1,2,5-thiadiazole Openeye Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-octoxy-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-octoxy-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-octoxy-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-octoxy-1,2,5-thiadiazole; oxalic acid Formula: C18H29N3O5S MolecularWeight: 399.50496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NSN=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCOC1=NSN=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H27N3OS.C2H2O4/c1-3-4-5-6-7-8-12-20-16-15(17-21-18-16)14-10-9-11-19(2)13-14;3-1(4)2(5)6/h10H,3-9,11-13H2,1-2H3;(H,3,4)(H,5,6)