[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic 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-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

C[C@H](C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C19H17N3O6S/c1-11(27-19(23)15-9-8-14(29-3)10-16(15)26-2)17-20-21-18(28-17)12-4-6-13(7-5-12)22(24)25/h4-11H,1-3H3/t11-/m1/s1