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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)acryloyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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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)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)O

InChI

InChI=1S/C22H23N3O6S/c1-6-31-16-10-13(7-8-15(16)26)9-14(11-23)19(27)24-20-17(22(29)30-5)12(2)18(32-20)21(28)25(3)4/h7-10,26H,6H2,1-5H3,(H,24,27)/b14-9+