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

Systemtic Name: (4-ethoxyphenyl)methyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: (4-ethoxyphenyl)methyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid (4-ethoxyphenyl)methyl ester IUPAC Name: (4-ethoxyphenyl)methyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid (4-ethoxybenzyl) ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)COC(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)COC(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N

InChI

InChI=1S/C21H18N2O4S/c1-3-26-15-9-7-14(8-10-15)13-27-21(25)18-17-6-4-5-11-23(17)20(24)16(12-22)19(18)28-2/h4-11H,3,13H2,1-2H3