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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-benzyloxy-3-iodo-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-benzoxy-3-iodo-5-methoxy-phenyl)-2-cyano-acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H25IN2O5S MolecularWeight: 616.46727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=CC=C3)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC(=C(C(=C2)I)OCC3=CC=CC=C3)OC)/C#N

InChI

InChI=1S/C27H25IN2O5S/c1-5-34-27(32)23-16(2)17(3)36-26(23)30-25(31)20(14-29)11-19-12-21(28)24(22(13-19)33-4)35-15-18-9-7-6-8-10-18/h6-13H,5,15H2,1-4H3,(H,30,31)/b20-11+