[5-(5-ethyl-4-methyl-thiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-6-nitro-benzoate

Systemtic Name: [5-(5-ethyl-4-methyl-thiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-6-nitro-benzoate Openeye Name: [5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [5-(5-ethyl-4-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2=NN=C(O2)COC(=O)C3=C(C=CC=C3[N+](=O)[O-])C)C

Isomeric SMILES

CCC1=C(C=C(S1)C2=NN=C(O2)COC(=O)C3=C(C=CC=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C18H17N3O5S/c1-4-13-11(3)8-14(27-13)17-20-19-15(26-17)9-25-18(22)16-10(2)6-5-7-12(16)21(23)24/h5-8H,4,9H2,1-3H3