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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(3,4-dimethylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(3,4-dimethylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(3,4-dimethylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3,4-dimethylbenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H20BrNO3S MolecularWeight: 458.3681

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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(=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO3S/c1-4-27-22(26)19-18(15-7-9-17(23)10-8-15)12-28-21(19)24-20(25)16-6-5-13(2)14(3)11-16/h5-12H,4H2,1-3H3,(H,24,25)