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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(2-ethoxyphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(2-ethoxybenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(2-ethoxybenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2-ethoxybenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H20BrNO4S MolecularWeight: 474.3675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C22H20BrNO4S/c1-3-27-18-8-6-5-7-16(18)20(25)24-21-19(22(26)28-4-2)17(13-29-21)14-9-11-15(23)12-10-14/h5-13H,3-4H2,1-2H3,(H,24,25)