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

Systemtic Name: 1-phenylpropan-2-yl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: (1-methyl-2-phenyl-ethyl) 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid 1-phenylpropan-2-yl ester IUPAC Name: 1-phenylpropan-2-yl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid (1-methyl-2-phenyl-ethyl) ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)OC(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N

Isomeric SMILES

CC(CC1=CC=CC=C1)OC(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N

InChI

InChI=1S/C21H18N2O3S/c1-14(12-15-8-4-3-5-9-15)26-21(25)18-17-10-6-7-11-23(17)20(24)16(13-22)19(18)27-2/h3-11,14H,12H2,1-2H3