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

Systemtic Name: diethyl 5-[3-cyano-2-oxidanylidene-4-(5-phenylsulfanylfuran-2-yl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-2-oxo-4-(5-phenylsulfanyl-2-furyl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-2-oxo-4-[5-(phenylthio)-2-furanyl]but-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-2-oxo-4-(5-phenylsulfanylfuran-2-yl)but-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-[5-(phenylthio)-2-furyl]but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H23NO6S2 MolecularWeight: 509.59392

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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(O2)SC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=C(O2)SC3=CC=CC=C3)C#N

InChI

InChI=1S/C26H23NO6S2/c1-4-31-25(29)23-16(3)24(26(30)32-5-2)35-21(23)14-20(28)17(15-27)13-18-11-12-22(33-18)34-19-9-7-6-8-10-19/h6-13H,4-5,14H2,1-3H3