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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(homoveratroylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H20BrNO5S MolecularWeight: 490.3669

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)OC

InChI

InChI=1S/C22H20BrNO5S/c1-27-17-9-4-13(10-18(17)28-2)11-19(25)24-21-20(22(26)29-3)16(12-30-21)14-5-7-15(23)8-6-14/h4-10,12H,11H2,1-3H3,(H,24,25)