ethyl 3-cyano-4-oxidanylidene-2-propan-2-ylsulfanyl-quinolizine-1-carboxylate

Systemtic Name: ethyl 3-cyano-4-oxidanylidene-2-propan-2-ylsulfanyl-quinolizine-1-carboxylate Openeye Name: ethyl 3-cyano-2-isopropylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-4-oxo-2-(propan-2-ylthio)-1-quinolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-4-oxo-2-propan-2-ylsulfanylquinolizine-1-carboxylate Traditional Name: 3-cyano-2-(isopropylthio)-4-keto-quinolizine-1-carboxylic acid ethyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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