ethyl 4-(4-bromophenyl)-2-(dodecanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(dodecanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-(dodecanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-(1-oxododecylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-(dodecanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(lauroylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H34BrNO3S MolecularWeight: 508.51136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OCC

InChI

InChI=1S/C25H34BrNO3S/c1-3-5-6-7-8-9-10-11-12-13-22(28)27-24-23(25(29)30-4-2)21(18-31-24)19-14-16-20(26)17-15-19/h14-18H,3-13H2,1-2H3,(H,27,28)