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

Systemtic Name: methyl 2-[[(E)-3-(4-acetyloxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-acetoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-acetyloxy-3-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-acetyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-acetoxy-3-ethoxy-phenyl)-2-cyano-acryloyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21N3O7S MolecularWeight: 471.48304

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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(=O)OC)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O7S/c1-5-31-16-9-13(6-7-15(16)32-12(3)26)8-14(10-23)20(28)25-21-17(22(29)30-4)11(2)18(33-21)19(24)27/h6-9H,5H2,1-4H3,(H2,24,27)(H,25,28)/b14-8+