(3-chlorophenyl)methyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: (3-chlorophenyl)methyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: (3-chlorophenyl)methyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid (3-chlorobenzyl) ester Formula: C19H13ClN2O3S MolecularWeight: 384.83612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN2O3S/c1-26-17-14(10-21)18(23)22-8-3-2-7-15(22)16(17)19(24)25-11-12-5-4-6-13(20)9-12/h2-9H,11H2,1H3