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

Systemtic Name: ethyl 2-[[3-(3-bromanyl-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(3-bromo-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(3-bromo-4-methoxy-phenyl)-2-cyano-acryloyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H21BrN2O4S MolecularWeight: 525.41424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrN2O4S/c1-4-32-25(30)22-19(17-8-5-15(2)6-9-17)14-33-24(22)28-23(29)18(13-27)11-16-7-10-21(31-3)20(26)12-16/h5-12,14H,4H2,1-3H3,(H,28,29)