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

Systemtic Name: 3-phenylpropyl 3-cyano-8-methyl-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: 3-phenylpropyl 3-cyano-8-methyl-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-8-methyl-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-cyano-8-methyl-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-8-methyl-2-(methylthio)quinolizine-1-carboxylic acid 3-phenylpropyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)N2C=C1)C#N)SC)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)N2C=C1)C#N)SC)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O3S/c1-15-10-11-24-18(13-15)19(20(28-2)17(14-23)21(24)25)22(26)27-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3