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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(3,3-diphenylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(3,3-diphenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(3,3-diphenylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C28H24BrNO3S MolecularWeight: 534.46406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24BrNO3S/c1-2-33-28(32)26-24(21-13-15-22(29)16-14-21)18-34-27(26)30-25(31)17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,18,23H,2,17H2,1H3,(H,30,31)