(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-oxidanylidene-4-phenyl-butanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO3S/c1-27-17-8-7-15-11-16(21(22)23-18(15)12-17)13-26-20(25)10-9-19(24)14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3