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

Systemtic Name: (4-bromophenyl)methyl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: (4-bromophenyl)methyl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid (4-bromobenzyl) ester Formula: C19H13BrN2O3S MolecularWeight: 429.28712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN2O3S/c1-26-17-14(10-21)18(23)22-9-3-2-4-15(22)16(17)19(24)25-11-12-5-7-13(20)8-6-12/h2-9H,11H2,1H3