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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-iodanyl-5-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-iodo-5-methoxy-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-hydroxy-3-iodo-5-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-iodo-5-methoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H19IN2O5S MolecularWeight: 526.34473

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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)I)O)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H19IN2O5S/c1-5-28-20(26)16-10(2)11(3)29-19(16)23-18(25)13(9-22)6-12-7-14(21)17(24)15(8-12)27-4/h6-8,24H,5H2,1-4H3,(H,23,25)/b13-6+