methyl 2-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]ethanoate Openeye Name: methyl 2-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]acetate CAS Name: 2-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]acetate Traditional Name: 2-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylthio]acetic acid methyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3OC)CSCC(=O)OC)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3OC)CSCC(=O)OC)C

InChI

InChI=1S/C22H25NO3S/c1-22(2)12-16(13-27-14-21(24)26-4)18-11-15(9-10-19(18)23-22)17-7-5-6-8-20(17)25-3/h5-12,23H,13-14H2,1-4H3