diethyl 5-[3-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H23NO7S MolecularWeight: 469.50692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC3=C(C=C2)OCCO3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC3=C(C=C2)OCCO3)C#N

InChI

InChI=1S/C24H23NO7S/c1-4-29-23(27)21-14(3)22(24(28)30-5-2)33-20(21)12-17(26)16(13-25)10-15-6-7-18-19(11-15)32-9-8-31-18/h6-7,10-11H,4-5,8-9,12H2,1-3H3