methyl 4-(4-bromophenyl)-2-[(4-propan-2-ylphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[(4-propan-2-ylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(4-isopropylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[oxo-(4-propan-2-ylphenyl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(cumoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H20BrNO3S MolecularWeight: 458.3681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C22H20BrNO3S/c1-13(2)14-4-6-16(7-5-14)20(25)24-21-19(22(26)27-3)18(12-28-21)15-8-10-17(23)11-9-15/h4-13H,1-3H3,(H,24,25)