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

Systemtic Name: ethyl 2-[[2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(3-nitrophenyl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H17N3O5S MolecularWeight: 447.46318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3O5S/c1-2-31-23(28)20-19(16-8-4-3-5-9-16)14-32-22(20)25-21(27)17(13-24)11-15-7-6-10-18(12-15)26(29)30/h3-12,14H,2H2,1H3,(H,25,27)