ethyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-ethoxy-4-propargyloxy-phenyl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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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)C)C(=O)OCC)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5S/c1-6-11-31-19-10-9-17(13-20(19)29-7-2)12-18(14-25)22(27)26-23-21(24(28)30-8-3)15(4)16(5)32-23/h1,9-10,12-13H,7-8,11H2,2-5H3,(H,26,27)/b18-12+