[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H10FN3O5S MolecularWeight: 399.352503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=N2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=N2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C18H10FN3O5S/c19-12-3-1-10(2-4-12)17-20-16(27-21-17)9-26-18(23)15-8-11-7-13(22(24)25)5-6-14(11)28-15/h1-8H,9H2