[3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] thiophene-2-carboxylate Openeye Name: [3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-[(E)-2-cyano-3-keto-3-(piperonylamino)prop-1-enyl]phenyl] ester Formula: C23H16N2O5S MolecularWeight: 432.44854

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=CC3=CC(=CC=C3)OC(=O)C4=CC=CS4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)/C(=C/C3=CC(=CC=C3)OC(=O)C4=CC=CS4)/C#N

InChI

InChI=1S/C23H16N2O5S/c24-12-17(22(26)25-13-16-6-7-19-20(11-16)29-14-28-19)9-15-3-1-4-18(10-15)30-23(27)21-5-2-8-31-21/h1-11H,13-14H2,(H,25,26)/b17-9+