(E)-but-2-enedioic acid; 5-methoxy-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-methylsulfanylethyl)-1,3-oxazole

Systemtic Name: (E)-but-2-enedioic acid; 5-methoxy-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-methylsulfanylethyl)-1,3-oxazole Openeye Name: fumaric acid; 5-methoxy-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-methylsulfanylethyl)oxazole CAS Name: (E)-2-butenedioic acid; 5-methoxy-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[2-(methylthio)ethyl]oxazole IUPAC Name: (E)-but-2-enedioic acid; 5-methoxy-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-methylsulfanylethyl)-1,3-oxazole Traditional Name: fumaric acid; 5-methoxy-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[2-(methylthio)ethyl]oxazole Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=C(C1)C2=NC(=C(O2)OC)CCSC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC=C(C1)C2=NC(=C(O2)OC)CCSC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H20N2O2S.C4H4O4/c1-15-7-4-5-10(9-15)12-14-11(6-8-18-3)13(16-2)17-12;5-3(6)1-2-4(7)8/h5H,4,6-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+