4-phenylbutan-2-yl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: 4-phenylbutan-2-yl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: (1-methyl-3-phenyl-propyl) 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid 4-phenylbutan-2-yl ester IUPAC Name: 4-phenylbutan-2-yl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid (1-methyl-3-phenyl-propyl) ester Formula: C22H20N2O3S MolecularWeight: 392.4708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)OC(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N

Isomeric SMILES

CC(CCC1=CC=CC=C1)OC(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N

InChI

InChI=1S/C22H20N2O3S/c1-15(11-12-16-8-4-3-5-9-16)27-22(26)19-18-10-6-7-13-24(18)21(25)17(14-23)20(19)28-2/h3-10,13,15H,11-12H2,1-2H3