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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[2-(2,4-dimethylphenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-(2,4-dimethylphenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H20BrNO4S MolecularWeight: 474.3675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC)C

InChI

InChI=1S/C22H20BrNO4S/c1-13-4-9-18(14(2)10-13)28-11-19(25)24-21-20(22(26)27-3)17(12-29-21)15-5-7-16(23)8-6-15/h4-10,12H,11H2,1-3H3,(H,24,25)