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

Systemtic Name: (2-methylcyclohexyl) 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: (2-methylcyclohexyl) 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid (2-methylcyclohexyl) ester IUPAC Name: (2-methylcyclohexyl) 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid (2-methylcyclohexyl) ester Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1OC(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N

Isomeric SMILES

CC1CCCCC1OC(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N

InChI

InChI=1S/C19H20N2O3S/c1-12-7-3-4-9-15(12)24-19(23)16-14-8-5-6-10-21(14)18(22)13(11-20)17(16)25-2/h5-6,8,10,12,15H,3-4,7,9H2,1-2H3