ethyl 4-cyano-5-[3-cyano-4-[4-[(4-nitrophenyl)methoxy]phenyl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-cyano-4-[4-[(4-nitrophenyl)methoxy]phenyl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-4-[4-[(4-nitrophenyl)methoxy]phenyl]-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-[4-[(4-nitrophenyl)methoxy]phenyl]-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-[4-[(4-nitrophenyl)methoxy]phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-2-keto-4-[4-(4-nitrobenzyl)oxyphenyl]but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H21N3O6S MolecularWeight: 515.53714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C#N)C#N)C

InChI

InChI=1S/C27H21N3O6S/c1-3-35-27(32)26-17(2)23(15-29)25(37-26)13-24(31)20(14-28)12-18-6-10-22(11-7-18)36-16-19-4-8-21(9-5-19)30(33)34/h4-12H,3,13,16H2,1-2H3