4-phenylbutyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OCCCCC3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OCCCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H20N2O3S/c1-28-20-17(15-23)21(25)24-13-7-5-12-18(24)19(20)22(26)27-14-8-6-11-16-9-3-2-4-10-16/h2-5,7,9-10,12-13H,6,8,11,14H2,1H3