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

Systemtic Name: butan-2-yl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: sec-butyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid sec-butyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C2C=CC=CN2C(=O)C(=C1SC)C#N

Isomeric SMILES

CCC(C)OC(=O)C1=C2C=CC=CN2C(=O)C(=C1SC)C#N

InChI

InChI=1S/C16H16N2O3S/c1-4-10(2)21-16(20)13-12-7-5-6-8-18(12)15(19)11(9-17)14(13)22-3/h5-8,10H,4H2,1-3H3