propan-2-yl 2-[[(E)-3-(4-acetyloxy-3,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-(4-acetyloxy-3,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(4-acetoxy-3,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-acetoxy-3,5-dimethoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC(=C(C(=C2)OC)OC(=O)C)OC)C#N

Isomeric SMILES

CC(C)OC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)OC)OC(=O)C)OC)/C#N

InChI

InChI=1S/C22H22N2O7S/c1-12(2)30-22(27)16-6-7-32-21(16)24-20(26)15(11-23)8-14-9-17(28-4)19(31-13(3)25)18(10-14)29-5/h6-10,12H,1-5H3,(H,24,26)/b15-8+