phenethyl 3-cyano-8-methyl-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: phenethyl 3-cyano-8-methyl-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: phenethyl 3-cyano-8-methyl-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-8-methyl-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-cyano-8-methyl-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-8-methyl-2-(methylthio)quinolizine-1-carboxylic acid phenethyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)N2C=C1)C#N)SC)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)N2C=C1)C#N)SC)C(=O)OCCC3=CC=CC=C3

InChI

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