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

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NOC(=N1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-9(2)5-14-17-15(24-18-14)8-23-16(20)13-7-10-6-11(19(21)22)3-4-12(10)25-13/h3-4,6-7,9H,5,8H2,1-2H3