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

Systemtic Name: 3-methylbutyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: isopentyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid isoamyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-11(2)7-9-22-17(21)14-13-6-4-5-8-19(13)16(20)12(10-18)15(14)23-3/h4-6,8,11H,7,9H2,1-3H3