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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[[2-cyano-3-(2-hydroxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[2-cyano-3-(2-hydroxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-cyano-3-(2-hydroxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[2-cyano-3-(2-hydroxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-cyano-3-(2-hydroxyphenyl)acryloyl]amino]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=C(C=C2)Br)NC(=O)C(=CC3=CC=CC=C3O)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(=CC3=CC=CC=C3O)C#N

InChI

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