methyl 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitro-benzoate CAS Name: 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]-5-nitro-benzoic acid methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=C(O2)C3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=C(O2)C3CCCCC3

InChI

InChI=1S/C16H17N3O5S/c1-23-15(20)12-9-11(19(21)22)7-8-13(12)25-16-18-17-14(24-16)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3