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

Systemtic Name: methyl 4-(4-bromophenyl)-2-(3,3-diphenylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(3,3-diphenylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(1-oxo-3,3-diphenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(3,3-diphenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(3,3-diphenylpropanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C27H22BrNO3S MolecularWeight: 520.43748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22BrNO3S/c1-32-27(31)25-23(20-12-14-21(28)15-13-20)17-33-26(25)29-24(30)16-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,17,22H,16H2,1H3,(H,29,30)