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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC(=C(C=C2)O)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC(=C(C=C2)O)OC)/C#N

InChI

InChI=1S/C20H20N2O5S/c1-5-27-20(25)17-11(2)12(3)28-19(17)22-18(24)14(10-21)8-13-6-7-15(23)16(9-13)26-4/h6-9,23H,5H2,1-4H3,(H,22,24)/b14-8+