[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1S)-1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1S)-1-[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)C(C)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)[C@H](C)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S/c1-9-4-3-5-11(8-9)15-18-17-14(24-15)10(2)23-16(20)12-6-7-13(25-12)19(21)22/h3-8,10H,1-2H3/t10-/m0/s1