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

Systemtic Name: diethyl 5-[3-cyano-4-(2-morpholin-4-yl-5-nitro-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(2-morpholino-5-nitro-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[2-(4-morpholinyl)-5-nitrophenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(2-morpholin-4-yl-5-nitrophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-(2-morpholino-5-nitro-phenyl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H27N3O8S MolecularWeight: 541.57288

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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-])N3CCOCC3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C#N

InChI

InChI=1S/C26H27N3O8S/c1-4-36-25(31)23-16(3)24(26(32)37-5-2)38-22(23)14-21(30)18(15-27)12-17-13-19(29(33)34)6-7-20(17)28-8-10-35-11-9-28/h6-7,12-13H,4-5,8-11,14H2,1-3H3