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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC)OC3=CC=CC=C3

InChI

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