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

Systemtic Name: methyl 4-(4-bromophenyl)-2-(dodecanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(dodecanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-(1-oxododecylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(dodecanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(lauroylamino)thiophene-3-carboxylic acid methyl ester Formula: C24H32BrNO3S MolecularWeight: 494.48478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32BrNO3S/c1-3-4-5-6-7-8-9-10-11-12-21(27)26-23-22(24(28)29-2)20(17-30-23)18-13-15-19(25)16-14-18/h13-17H,3-12H2,1-2H3,(H,26,27)