methyl 4-(4-bromophenyl)-2-[3-(4-methoxyphenyl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[3-(4-methoxyphenyl)propanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[3-(4-methoxyphenyl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[3-(4-methoxyphenyl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[3-(4-methoxyphenyl)propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H20BrNO4S MolecularWeight: 474.3675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO4S/c1-27-17-10-3-14(4-11-17)5-12-19(25)24-21-20(22(26)28-2)18(13-29-21)15-6-8-16(23)9-7-15/h3-4,6-11,13H,5,12H2,1-2H3,(H,24,25)