(3,4-dimethylphenyl)methyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-13-7-8-15(10-14(13)2)12-26-21(25)18-17-6-4-5-9-23(17)20(24)16(11-22)19(18)27-3/h4-10H,12H2,1-3H3