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

Systemtic Name: ethyl 7-(1-adamantylcarbonyloxyamino)-2-ethanoylimino-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetylimino-7-(adamantane-1-carbonyloxyamino)-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-acetylimino-7-[[1-adamantyl(oxo)methoxy]amino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetylimino-7-(adamantane-1-carbonyloxyamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 2-acetylimino-7-(adamantane-1-carbonyloxyamino)-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C)NOC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C)NOC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N2O5S/c1-3-30-22(28)19-17-5-4-6-18(20(17)32-21(19)25-13(2)27)26-31-23(29)24-10-14-7-15(11-24)9-16(8-14)12-24/h14-16,26H,3-12H2,1-2H3