ethyl 6-[2-oxidanylidene-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-3-yl]hexanoate

Systemtic Name: ethyl 6-[2-oxidanylidene-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-3-yl]hexanoate Openeye Name: ethyl 6-[5-(2-allylsulfanyl-3-pyridyl)-2-oxo-1,3,4-oxadiazol-3-yl]hexanoate CAS Name: 6-[2-oxo-5-[2-(prop-2-enylthio)-3-pyridinyl]-1,3,4-oxadiazol-3-yl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-oxo-5-(2-prop-2-enylsulfanylpyridin-3-yl)-1,3,4-oxadiazol-3-yl]hexanoate Traditional Name: 6-[5-[2-(allylthio)-3-pyridyl]-2-keto-1,3,4-oxadiazol-3-yl]hexanoic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C(=O)OC(=N1)C2=C(N=CC=C2)SCC=C

Isomeric SMILES

CCOC(=O)CCCCCN1C(=O)OC(=N1)C2=C(N=CC=C2)SCC=C

InChI

InChI=1S/C18H23N3O4S/c1-3-13-26-17-14(9-8-11-19-17)16-20-21(18(23)25-16)12-7-5-6-10-15(22)24-4-2/h3,8-9,11H,1,4-7,10,12-13H2,2H3