(phenylmethyl) 3-cyano-8-methyl-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-cyano-8-methyl-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: benzyl 3-cyano-8-methyl-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-8-methyl-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-cyano-8-methyl-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-8-methyl-2-(methylthio)quinolizine-1-carboxylic acid benzyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)N2C=C1)C#N)SC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)N2C=C1)C#N)SC)C(=O)OCC3=CC=CC=C3

InChI

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