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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H11N3O5S MolecularWeight: 381.36204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O5S/c22-18(15-9-12-8-13(21(23)24)6-7-14(12)27-15)25-10-16-19-17(20-26-16)11-4-2-1-3-5-11/h1-9H,10H2