(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-cyanobenzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-cyanobenzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-cyanobenzoate Traditional Name: 4-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=C(C=C3)C#N)Cl

Isomeric SMILES

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

InChI

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