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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H18ClNO2S2 MolecularWeight: 403.94542

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CCSC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CCSC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H18ClNO2S2/c1-25-17-8-7-14-11-15(20(21)22-18(14)12-17)13-24-19(23)9-10-26-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3