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

Systemtic Name: ethyl 2-[[3-(3-bromanyl-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(3-bromo-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(3-bromo-4-methoxy-phenyl)-2-cyano-acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H19BrN2O4S MolecularWeight: 511.38766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19BrN2O4S/c1-3-31-24(29)21-18(16-7-5-4-6-8-16)14-32-23(21)27-22(28)17(13-26)11-15-9-10-20(30-2)19(25)12-15/h4-12,14H,3H2,1-2H3,(H,27,28)