1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)OC)OC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=C(C=C2)OC)OC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H17N3O5S/c1-12(25-16(22)11-27-15-5-3-4-10-21(15)23)17-19-20-18(26-17)13-6-8-14(24-2)9-7-13/h3-10,12H,11H2,1-2H3