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

Systemtic Name: ethyl 7-(oxidanylamino)-2-propanoylimino-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 7-(hydroxyamino)-2-propanoylimino-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 7-(hydroxyamino)-2-(1-oxopropylimino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(hydroxyamino)-2-propanoylimino-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 7-(hydroxyamino)-2-propionylimino-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-3-10(17)15-13-11(14(18)20-4-2)8-6-5-7-9(16-19)12(8)21-13/h16,19H,3-7H2,1-2H3