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

Systemtic Name: ethyl 7-[(4-bromanylphenoxy)carbonylamino]-2-ethanoylimino-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetylimino-7-[(4-bromophenoxy)carbonylamino]-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-acetylimino-7-[[(4-bromophenoxy)-oxomethyl]amino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetylimino-7-[(4-bromophenoxy)carbonylamino]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 2-acetylimino-7-[(4-bromophenoxy)carbonylamino]-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C)NC(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C)NC(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O5S/c1-3-27-19(25)16-14-5-4-6-15(17(14)29-18(16)22-11(2)24)23-20(26)28-13-9-7-12(21)8-10-13/h7-10H,3-6H2,1-2H3,(H,23,26)