ethyl 3-cyano-4-oxidanylidene-2-(phenylmethylsulfanyl)quinolizine-1-carboxylate

Systemtic Name: ethyl 3-cyano-4-oxidanylidene-2-(phenylmethylsulfanyl)quinolizine-1-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-3-cyano-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-4-oxo-2-(phenylmethylthio)-1-quinolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-3-cyano-4-oxoquinolizine-1-carboxylate Traditional Name: 2-(benzylthio)-3-cyano-4-keto-quinolizine-1-carboxylic acid ethyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C(=O)C(=C1SCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C(=O)C(=C1SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H16N2O3S/c1-2-25-20(24)17-16-10-6-7-11-22(16)19(23)15(12-21)18(17)26-13-14-8-4-3-5-9-14/h3-11H,2,13H2,1H3