ethyl 2-[[3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(5-bromo-2-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(5-bromo-2-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(5-bromo-2-hydroxy-phenyl)-2-cyano-acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H17BrN2O4S MolecularWeight: 497.36108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN2O4S/c1-2-30-23(29)20-18(14-6-4-3-5-7-14)13-31-22(20)26-21(28)16(12-25)10-15-11-17(24)8-9-19(15)27/h3-11,13,27H,2H2,1H3,(H,26,28)