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

Systemtic Name: (4-phenylphenyl)methyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: (4-phenylphenyl)methyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid (4-phenylbenzyl) ester Formula: C25H18N2O3S MolecularWeight: 426.48702

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H18N2O3S/c1-31-23-20(15-26)24(28)27-14-6-5-9-21(27)22(23)25(29)30-16-17-10-12-19(13-11-17)18-7-3-2-4-8-18/h2-14H,16H2,1H3