(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(3-fluorophenyl)-2-propenoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluorophenyl)acrylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H15ClFNO2S MolecularWeight: 387.855003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C=CC3=CC(=CC=C3)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClFNO2S/c1-26-17-7-6-14-10-15(20(21)23-18(14)11-17)12-25-19(24)8-5-13-3-2-4-16(22)9-13/h2-11H,12H2,1H3/b8-5+