1,3-benzodioxol-5-ylmethyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid piperonyl ester Formula: C20H14N2O5S MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C20H14N2O5S/c1-28-18-13(9-21)19(23)22-7-3-2-4-14(22)17(18)20(24)25-10-12-5-6-15-16(8-12)27-11-26-15/h2-8H,10-11H2,1H3