(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H9N3O5S2 MolecularWeight: 387.38976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C16H9N3O5S2/c20-16(13-6-10-5-11(19(21)22)1-2-12(10)26-13)23-7-14-17-15(18-24-14)9-3-4-25-8-9/h1-6,8H,7H2