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

Systemtic Name: methyl 4-(4-bromophenyl)-2-(2-cyanoethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(2-cyano-1-oxoethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C15H11BrN2O3S MolecularWeight: 379.22844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CC#N

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CC#N

InChI

InChI=1S/C15H11BrN2O3S/c1-21-15(20)13-11(9-2-4-10(16)5-3-9)8-22-14(13)18-12(19)6-7-17/h2-5,8H,6H2,1H3,(H,18,19)