(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H18ClNO2S MolecularWeight: 383.89112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C21H18ClNO2S/c1-14-3-5-15(6-4-14)7-10-20(24)25-13-17-11-16-8-9-18(26-2)12-19(16)23-21(17)22/h3-12H,13H2,1-2H3/b10-7+