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

Systemtic Name: methyl 2-[[(E)-3-(5-bromanyl-2-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromo-2-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-ethoxy-phenyl)-2-cyano-acryloyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22BrN3O5S MolecularWeight: 520.39618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O5S/c1-6-31-16-8-7-15(23)10-13(16)9-14(11-24)19(27)25-20-17(22(29)30-5)12(2)18(32-20)21(28)26(3)4/h7-10H,6H2,1-5H3,(H,25,27)/b14-9+