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

Systemtic Name: methyl 4-(4-bromophenyl)-2-(undecanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(undecanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-(1-oxoundecylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(undecanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(undecanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H30BrNO3S MolecularWeight: 480.4582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrNO3S/c1-3-4-5-6-7-8-9-10-11-20(26)25-22-21(23(27)28-2)19(16-29-22)17-12-14-18(24)15-13-17/h12-16H,3-11H2,1-2H3,(H,25,26)