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

Systemtic Name: diethyl 5-[3-cyano-4-(5-nitro-2-phenylsulfanyl-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(5-nitro-2-phenylsulfanyl-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[5-nitro-2-(phenylthio)phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(5-nitro-2-phenylsulfanylphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-[5-nitro-2-(phenylthio)phenyl]but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C28H24N2O7S2 MolecularWeight: 564.62936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3)C#N

InChI

InChI=1S/C28H24N2O7S2/c1-4-36-27(32)25-17(3)26(28(33)37-5-2)39-24(25)15-22(31)19(16-29)13-18-14-20(30(34)35)11-12-23(18)38-21-9-7-6-8-10-21/h6-14H,4-5,15H2,1-3H3