ethyl 2-[[(E)-3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(5-bromo-2-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-hydroxy-phenyl)-2-cyano-acryloyl]amino]-4-(p-tolyl)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=C(C=C2)C)NC(=O)C(=CC3=C(C=CC(=C3)Br)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H19BrN2O4S/c1-3-31-24(30)21-19(15-6-4-14(2)5-7-15)13-32-23(21)27-22(29)17(12-26)10-16-11-18(25)8-9-20(16)28/h4-11,13,28H,3H2,1-2H3,(H,27,29)/b17-10+