ethyl 4-(4-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(homoveratroylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H22BrNO5S MolecularWeight: 504.39348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H22BrNO5S/c1-4-30-23(27)21-17(15-6-8-16(24)9-7-15)13-31-22(21)25-20(26)12-14-5-10-18(28-2)19(11-14)29-3/h5-11,13H,4,12H2,1-3H3,(H,25,26)