(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-cyanobenzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-cyanobenzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C19H13ClN2O2S MolecularWeight: 368.83672

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=CC(=C3)C#N)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=CC(=C3)C#N)Cl

InChI

InChI=1S/C19H13ClN2O2S/c1-25-16-6-5-13-8-15(18(20)22-17(13)9-16)11-24-19(23)14-4-2-3-12(7-14)10-21/h2-9H,11H2,1H3