ethyl 4-(4-bromophenyl)-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(1-oxo-2-phenoxybutyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(2-phenoxybutanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H22BrNO4S MolecularWeight: 488.39408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OCC)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OCC)OC3=CC=CC=C3

InChI

InChI=1S/C23H22BrNO4S/c1-3-19(29-17-8-6-5-7-9-17)21(26)25-22-20(23(27)28-4-2)18(14-30-22)15-10-12-16(24)13-11-15/h5-14,19H,3-4H2,1-2H3,(H,25,26)