[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-10(2)5-6-17-15(19)9-23-16(20)14-8-11-7-12(18(21)22)3-4-13(11)24-14/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,17,19)