ethyl 2-[(2-acetyloxyphenyl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-acetyloxyphenyl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-acetoxybenzoyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylate CAS Name: 2-[[(2-acetyloxyphenyl)-oxomethyl]amino]-4-(4-bromophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetyloxybenzoyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-acetoxybenzoyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H18BrNO5S MolecularWeight: 488.35102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3OC(=O)C

InChI

InChI=1S/C22H18BrNO5S/c1-3-28-22(27)19-17(14-8-10-15(23)11-9-14)12-30-21(19)24-20(26)16-6-4-5-7-18(16)29-13(2)25/h4-12H,3H2,1-2H3,(H,24,26)