ethyl 4-cyano-5-[3-cyano-4-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-cyano-4-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-4-[5-(4-ethoxycarbonylphenyl)-2-furyl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-[5-(4-ethoxycarbonylphenyl)-2-furanyl]-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-[5-(4-carbethoxyphenyl)-2-furyl]-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H22N2O6S MolecularWeight: 502.53838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)CC3=C(C(=C(S3)C(=O)OCC)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)CC3=C(C(=C(S3)C(=O)OCC)C)C#N

InChI

InChI=1S/C27H22N2O6S/c1-4-33-26(31)18-8-6-17(7-9-18)23-11-10-20(35-23)12-19(14-28)22(30)13-24-21(15-29)16(3)25(36-24)27(32)34-5-2/h6-12H,4-5,13H2,1-3H3