ethyl 7-(oxidanylamino)-2-pentanoylimino-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 7-(oxidanylamino)-2-pentanoylimino-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 7-(hydroxyamino)-2-pentanoylimino-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 7-(hydroxyamino)-2-(1-oxopentylimino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(hydroxyamino)-2-pentanoylimino-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 7-(hydroxyamino)-2-valerylimino-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1C(=C2CCCC(=C2S1)NO)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N=C1C(=C2CCCC(=C2S1)NO)C(=O)OCC

InChI

InChI=1S/C16H22N2O4S/c1-3-5-9-12(19)17-15-13(16(20)22-4-2)10-7-6-8-11(18-21)14(10)23-15/h18,21H,3-9H2,1-2H3