1-(4-bromophenyl)ethyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: 1-(4-bromophenyl)ethyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: 1-(4-bromophenyl)ethyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid 1-(4-bromophenyl)ethyl ester IUPAC Name: 1-(4-bromophenyl)ethyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid 1-(4-bromophenyl)ethyl ester Formula: C20H15BrN2O3S MolecularWeight: 443.3137

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)OC(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)OC(=O)C2=C3C=CC=CN3C(=O)C(=C2SC)C#N

InChI

InChI=1S/C20H15BrN2O3S/c1-12(13-6-8-14(21)9-7-13)26-20(25)17-16-5-3-4-10-23(16)19(24)15(11-22)18(17)27-2/h3-10,12H,1-2H3