naphthalen-1-ylmethyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: naphthalen-1-ylmethyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: 1-naphthylmethyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid 1-naphthylmethyl ester Formula: C23H16N2O3S MolecularWeight: 400.44974

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OCC3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OCC3=CC=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C23H16N2O3S/c1-29-21-18(13-24)22(26)25-12-5-4-11-19(25)20(21)23(27)28-14-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,14H2,1H3