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

Systemtic Name: cyclobutyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: cyclobutyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid cyclobutyl ester IUPAC Name: cyclobutyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid cyclobutyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OC3CCC3)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OC3CCC3)C#N

InChI

InChI=1S/C16H14N2O3S/c1-22-14-11(9-17)15(19)18-8-3-2-7-12(18)13(14)16(20)21-10-5-4-6-10/h2-3,7-8,10H,4-6H2,1H3