2-phenylsulfanylethyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: 2-phenylsulfanylethyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: 2-phenylsulfanylethyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid 2-(phenylthio)ethyl ester IUPAC Name: 2-phenylsulfanylethyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid 2-(phenylthio)ethyl ester Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OCCSC3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OCCSC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H16N2O3S2/c1-26-18-15(13-21)19(23)22-10-6-5-9-16(22)17(18)20(24)25-11-12-27-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3