methyl 4-(4-bromophenyl)-5-methyl-2-(2-phenoxyethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-5-methyl-2-(2-phenoxyethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-5-methyl-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-5-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-5-methyl-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-5-methyl-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H18BrNO4S MolecularWeight: 460.34092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC2=CC=CC=C2)C(=O)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC2=CC=CC=C2)C(=O)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrNO4S/c1-13-18(14-8-10-15(22)11-9-14)19(21(25)26-2)20(28-13)23-17(24)12-27-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,23,24)