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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C22H20ClNO3S/c1-3-26-18-8-4-15(5-9-18)6-11-21(25)27-14-17-12-16-7-10-19(28-2)13-20(16)24-22(17)23/h4-13H,3,14H2,1-2H3/b11-6+