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

Systemtic Name: methyl 4-(4-bromophenyl)-5-methyl-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-5-methyl-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-5-methyl-2-[(1-oxo-4-phenoxybutyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-5-methyl-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-5-methyl-2-(4-phenoxybutanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H22BrNO4S MolecularWeight: 488.39408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCCOC2=CC=CC=C2)C(=O)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCCOC2=CC=CC=C2)C(=O)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H22BrNO4S/c1-15-20(16-10-12-17(24)13-11-16)21(23(27)28-2)22(30-15)25-19(26)9-6-14-29-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H,25,26)