[1-(3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizin-1-yl)carbonyl-4-phenyl-piperidin-4-yl] ethanoate

Systemtic Name: [1-(3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizin-1-yl)carbonyl-4-phenyl-piperidin-4-yl] ethanoate Openeye Name: [1-(3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carbonyl)-4-phenyl-4-piperidyl] acetate CAS Name: acetic acid [1-[[3-cyano-2-(methylthio)-4-oxo-1-quinolizinyl]-oxomethyl]-4-phenyl-4-piperidinyl] ester IUPAC Name: [1-(3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carbonyl)-4-phenylpiperidin-4-yl] acetate Traditional Name: acetic acid [1-[3-cyano-4-keto-2-(methylthio)quinolizine-1-carbonyl]-4-phenyl-4-piperidyl] ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCN(CC1)C(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1(CCN(CC1)C(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4S/c1-17(29)32-25(18-8-4-3-5-9-18)11-14-27(15-12-25)24(31)21-20-10-6-7-13-28(20)23(30)19(16-26)22(21)33-2/h3-10,13H,11-12,14-15H2,1-2H3