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

Systemtic Name: ethyl 5-aminocarbonyl-2-[[(E)-3-(2-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(2-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(2-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-acryloyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20BrN3O6S MolecularWeight: 522.369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC)Br)O

Isomeric SMILES

CCOC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC)Br)O

InChI

InChI=1S/C21H20BrN3O6S/c1-4-30-15-7-11(13(22)8-14(15)26)6-12(9-23)19(28)25-20-16(21(29)31-5-2)10(3)17(32-20)18(24)27/h6-8,26H,4-5H2,1-3H3,(H2,24,27)(H,25,28)/b12-6+