2,2,2-tris(chloranyl)ethyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: 2,2,2-trichloroethyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid 2,2,2-trichloroethyl ester Formula: C14H9Cl3N2O3S MolecularWeight: 391.65686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9Cl3N2O3S/c1-23-11-8(6-18)12(20)19-5-3-2-4-9(19)10(11)13(21)22-7-14(15,16)17/h2-5H,7H2,1H3