ethyl 2-[[(E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-cyano-acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H23BrN2O5S MolecularWeight: 519.40812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC(=C(C(=C2)Br)OCC=C)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC(=C(C(=C2)Br)OCC=C)OC)/C#N

InChI

InChI=1S/C23H23BrN2O5S/c1-6-8-31-20-17(24)10-15(11-18(20)29-5)9-16(12-25)21(27)26-22-19(23(28)30-7-2)13(3)14(4)32-22/h6,9-11H,1,7-8H2,2-5H3,(H,26,27)/b16-9+