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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C21H18ClNO3S/c1-25-17-7-3-14(4-8-17)5-10-20(24)26-13-16-11-15-6-9-18(27-2)12-19(15)23-21(16)22/h3-12H,13H2,1-2H3/b10-5+