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

Systemtic Name: 2-adamantyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: 2-adamantyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid 2-adamantyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OC3C4CC5CC(C4)CC3C5)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OC3C4CC5CC(C4)CC3C5)C#N

InChI

InChI=1S/C22H22N2O3S/c1-28-20-16(11-23)21(25)24-5-3-2-4-17(24)18(20)22(26)27-19-14-7-12-6-13(9-14)10-15(19)8-12/h2-5,12-15,19H,6-10H2,1H3