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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H15N3O7S MolecularWeight: 441.414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H15N3O7S/c1-27-14-5-3-11(8-15(14)28-2)19-21-18(30-22-19)10-29-20(24)17-9-12-7-13(23(25)26)4-6-16(12)31-17/h3-9H,10H2,1-2H3