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

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H13N3O5S MolecularWeight: 395.38862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O5S/c1-11-4-2-3-5-14(11)18-20-17(27-21-18)10-26-19(23)16-9-12-8-13(22(24)25)6-7-15(12)28-16/h2-9H,10H2,1H3