[2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-(2,2-diphenylethylamino)-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-(2,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,2-diphenylethylamino)-2-oxoethyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-(2,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C21H18BrNO3S MolecularWeight: 444.34152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC=C(S2)Br)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC=C(S2)Br)C3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO3S/c22-19-12-11-18(27-19)21(25)26-14-20(24)23-13-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,23,24)