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

Systemtic Name: methyl 4-(4-bromophenyl)-2-(octanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(octanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-(1-oxooctylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(octanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(caprylylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H24BrNO3S MolecularWeight: 438.37846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO3S/c1-3-4-5-6-7-8-17(23)22-19-18(20(24)25-2)16(13-26-19)14-9-11-15(21)12-10-14/h9-13H,3-8H2,1-2H3,(H,22,23)