methyl 4-(4-bromophenyl)-2-(2,2-diphenylethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-(2,2-diphenylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(1-oxo-2,2-diphenylethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C26H20BrNO3S MolecularWeight: 506.4109

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H20BrNO3S/c1-31-26(30)23-21(17-12-14-20(27)15-13-17)16-32-25(23)28-24(29)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,22H,1H3,(H,28,29)