diethyl 5-[3-cyano-4-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-cyano-4-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-[3-ethoxy-4-(4-nitrobenzyl)oxy-phenyl]-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C31H30N2O9S MolecularWeight: 606.6429

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C31H30N2O9S/c1-5-39-26-15-21(10-13-25(26)42-18-20-8-11-23(12-9-20)33(37)38)14-22(17-32)24(34)16-27-28(30(35)40-6-2)19(4)29(43-27)31(36)41-7-3/h8-15H,5-7,16,18H2,1-4H3