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

Systemtic Name: diethyl 5-[3-cyano-4-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-2-oxo-4-[4-(p-tolylmethoxy)phenyl]but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-[4-(4-methylbenzyl)oxyphenyl]but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C30H29NO6S MolecularWeight: 531.61936

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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(C=C2)OCC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C30H29NO6S/c1-5-35-29(33)27-20(4)28(30(34)36-6-2)38-26(27)16-25(32)23(17-31)15-21-11-13-24(14-12-21)37-18-22-9-7-19(3)8-10-22/h7-15H,5-6,16,18H2,1-4H3