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

Systemtic Name: cyclohexyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: cyclohexyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid cyclohexyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OC3CCCCC3)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OC3CCCCC3)C#N

InChI

InChI=1S/C18H18N2O3S/c1-24-16-13(11-19)17(21)20-10-6-5-9-14(20)15(16)18(22)23-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3