2,2-diphenylethyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: 2,2-diphenylethyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: 2,2-diphenylethyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid 2,2-diphenylethyl ester IUPAC Name: 2,2-diphenylethyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid 2,2-diphenylethyl ester Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O3S/c1-32-24-20(16-27)25(29)28-15-9-8-14-22(28)23(24)26(30)31-17-21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,21H,17H2,1H3