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

Systemtic Name: diethyl 5-[3-cyano-2-oxidanylidene-4-(3-phenylmethoxyphenyl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(3-benzyloxyphenyl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-2-oxo-4-(3-phenylmethoxyphenyl)but-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-2-oxo-4-(3-phenylmethoxyphenyl)but-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(3-benzoxyphenyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C29H27NO6S MolecularWeight: 517.59278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO6S/c1-4-34-28(32)26-19(3)27(29(33)35-5-2)37-25(26)16-24(31)22(17-30)14-21-12-9-13-23(15-21)36-18-20-10-7-6-8-11-20/h6-15H,4-5,16,18H2,1-3H3