ethyl 4-(4-bromophenyl)-2-[(2-cyano-3-phenyl-prop-2-enoyl)amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(2-cyano-3-phenyl-prop-2-enoyl)amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(2-cyano-3-phenyl-prop-2-enoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(2-cyano-1-oxo-3-phenylprop-2-enyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(2-cyano-3-phenylprop-2-enoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2-cyano-3-phenyl-acryloyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H17BrN2O3S MolecularWeight: 481.36168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(=CC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H17BrN2O3S/c1-2-29-23(28)20-19(16-8-10-18(24)11-9-16)14-30-22(20)26-21(27)17(13-25)12-15-6-4-3-5-7-15/h3-12,14H,2H2,1H3,(H,26,27)