ethyl 5-[4-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-phenyl]-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-2-keto-4-(3-methoxy-4-piperonyloxy-phenyl)but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C29H24N2O7S MolecularWeight: 544.57506

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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=CC4=C(C=C3)OCO4)OC)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC4=C(C=C3)OCO4)OC)C#N)C#N)C

InChI

InChI=1S/C29H24N2O7S/c1-4-35-29(33)28-17(2)21(14-31)27(39-28)12-22(32)20(13-30)9-18-5-7-23(25(10-18)34-3)36-15-19-6-8-24-26(11-19)38-16-37-24/h5-11H,4,12,15-16H2,1-3H3