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

Systemtic Name: diethyl 5-[4-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-[5-(2-chloro-4-nitrophenyl)-2-furanyl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H21ClN2O8S MolecularWeight: 556.97154

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN2O8S/c1-4-35-25(31)23-14(3)24(26(32)36-5-2)38-22(23)12-20(30)15(13-28)10-17-7-9-21(37-17)18-8-6-16(29(33)34)11-19(18)27/h6-11H,4-5,12H2,1-3H3