(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C23H17ClN2O2S MolecularWeight: 420.91128

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C=CC3=CC=CC4=C3N=CC=C4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4)Cl

InChI

InChI=1S/C23H17ClN2O2S/c1-29-19-9-7-17-12-18(23(24)26-20(17)13-19)14-28-21(27)10-8-16-5-2-4-15-6-3-11-25-22(15)16/h2-13H,14H2,1H3/b10-8+