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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[[2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2-cyano-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-cyano-3-(3-nitrophenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H16BrN3O5S MolecularWeight: 526.35924

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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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H16BrN3O5S/c1-2-32-23(29)20-19(15-6-8-17(24)9-7-15)13-33-22(20)26-21(28)16(12-25)10-14-4-3-5-18(11-14)27(30)31/h3-11,13H,2H2,1H3,(H,26,28)