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

Systemtic Name: methyl 2-[[(E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-acryloyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22BrN3O6S MolecularWeight: 536.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O6S/c1-6-32-15-9-12(8-14(23)17(15)27)7-13(10-24)19(28)25-20-16(22(30)31-5)11(2)18(33-20)21(29)26(3)4/h7-9,27H,6H2,1-5H3,(H,25,28)/b13-7+