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

Systemtic Name: diethyl 5-[3-cyano-4-[5-(2-methyl-3-nitro-phenyl)furan-2-yl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[5-(2-methyl-3-nitro-phenyl)-2-furyl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[5-(2-methyl-3-nitrophenyl)-2-furanyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[5-(2-methyl-3-nitrophenyl)furan-2-yl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-[5-(2-methyl-3-nitro-phenyl)-2-furyl]but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H24N2O8S MolecularWeight: 536.55306

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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)C3=C(C(=CC=C3)[N+](=O)[O-])C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=C(O2)C3=C(C(=CC=C3)[N+](=O)[O-])C)C#N

InChI

InChI=1S/C27H24N2O8S/c1-5-35-26(31)24-16(4)25(27(32)36-6-2)38-23(24)13-21(30)17(14-28)12-18-10-11-22(37-18)19-8-7-9-20(15(19)3)29(33)34/h7-12H,5-6,13H2,1-4H3