ethyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-propanoyloxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-propanoyloxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-propanoyloxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[3-ethoxy-4-(1-oxopropoxy)phenyl]-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-propanoyloxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-ethoxy-4-propionyloxy-phenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OCC)OCC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OCC)OCC

InChI

InChI=1S/C22H22N2O6S/c1-4-19(25)30-17-8-7-14(12-18(17)28-5-2)11-15(13-23)20(26)24-21-16(9-10-31-21)22(27)29-6-3/h7-12H,4-6H2,1-3H3,(H,24,26)/b15-11+