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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(2-cyanoethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(2-cyano-1-oxoethyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O3S/c1-2-22-16(21)14-12(10-3-5-11(17)6-4-10)9-23-15(14)19-13(20)7-8-18/h3-6,9H,2,7H2,1H3,(H,19,20)