methyl 4-[[(3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizin-1-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizin-1-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[[3-cyano-2-(methylthio)-4-oxo-1-quinolizinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[[3-cyano-4-keto-2-(methylthio)quinolizine-1-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4S/c1-28-21(27)14-8-6-13(7-9-14)12-23-19(25)17-16-5-3-4-10-24(16)20(26)15(11-22)18(17)29-2/h3-10H,12H2,1-2H3,(H,23,25)