[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OC(C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)O[C@H](C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O5S/c1-12-4-9-17(10-13(12)2)29-11-18(24)27-14(3)19-21-22-20(28-19)15-5-7-16(8-6-15)23(25)26/h4-10,14H,11H2,1-3H3/t14-/m1/s1