ethyl 2-ethanoylimino-7-[(3-iodanylphenyl)carbonyloxyamino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-ethanoylimino-7-[(3-iodanylphenyl)carbonyloxyamino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetylimino-7-[(3-iodobenzoyl)oxyamino]-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-acetylimino-7-[[(3-iodophenyl)-oxomethoxy]amino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetylimino-7-[(3-iodobenzoyl)oxyamino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 2-acetylimino-7-[(3-iodobenzoyl)oxyamino]-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C20H19IN2O5S MolecularWeight: 526.34473

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C)NOC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C)NOC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C20H19IN2O5S/c1-3-27-20(26)16-14-8-5-9-15(17(14)29-18(16)22-11(2)24)23-28-19(25)12-6-4-7-13(21)10-12/h4,6-7,10,23H,3,5,8-9H2,1-2H3