diethyl 5-[3-cyano-4-(4-methylsulfanylphenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-cyano-4-(4-methylsulfanylphenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(4-methylsulfanylphenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[4-(methylthio)phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(4-methylsulfanylphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-[4-(methylthio)phenyl]but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H23NO5S2 MolecularWeight: 457.56242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5S2/c1-5-28-22(26)20-14(3)21(23(27)29-6-2)31-19(20)12-18(25)16(13-24)11-15-7-9-17(30-4)10-8-15/h7-11H,5-6,12H2,1-4H3