ethyl 7-(acetyloxyamino)-2-ethanoylimino-6-phenylsulfanyl-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 7-(acetyloxyamino)-2-ethanoylimino-6-phenylsulfanyl-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 7-(acetoxyamino)-2-acetylimino-6-phenylsulfanyl-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-acetylimino-7-(acetyloxyamino)-6-(phenylthio)-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetylimino-7-(acetyloxyamino)-6-phenylsulfanyl-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 7-(acetoxyamino)-2-acetylimino-6-(phenylthio)-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCC(C(=C2SC1=NC(=O)C)NOC(=O)C)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2CCC(C(=C2SC1=NC(=O)C)NOC(=O)C)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S2/c1-4-27-21(26)17-15-10-11-16(29-14-8-6-5-7-9-14)18(23-28-13(3)25)19(15)30-20(17)22-12(2)24/h5-9,16,23H,4,10-11H2,1-3H3