(2-chloranylquinolin-3-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2-chloro-3-quinolyl)methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (2-chloro-3-quinolyl)methyl ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

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