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

Systemtic Name: methyl 2-[2-(4-bromophenyl)ethanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromophenyl)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenyl)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)acetyl]amino]-4-(3,4-dimethoxyphenyl)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)C2=CSC(=C2C(=O)OC)NC(=O)CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC3=CC=C(C=C3)Br)OC

InChI

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