methyl 4-(4-bromophenyl)-5-methyl-2-[2-(2-prop-2-enylphenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-5-methyl-2-[2-(2-prop-2-enylphenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-allylphenoxy)acetyl]amino]-4-(4-bromophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-5-methyl-2-[[1-oxo-2-(2-prop-2-enylphenoxy)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-5-methyl-2-[[2-(2-prop-2-enylphenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(2-allylphenoxy)acetyl]amino]-4-(4-bromophenyl)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C24H22BrNO4S MolecularWeight: 500.40478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC2=CC=CC=C2CC=C)C(=O)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC2=CC=CC=C2CC=C)C(=O)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H22BrNO4S/c1-4-7-16-8-5-6-9-19(16)30-14-20(27)26-23-22(24(28)29-3)21(15(2)31-23)17-10-12-18(25)13-11-17/h4-6,8-13H,1,7,14H2,2-3H3,(H,26,27)