(3-methylquinoxalin-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C20H20N2O2S MolecularWeight: 352.45

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC2=NC3=CC=CC=C3N=C2C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC2=NC3=CC=CC=C3N=C2C

InChI

InChI=1S/C20H20N2O2S/c1-14-7-9-16(10-8-14)25-12-11-20(23)24-13-19-15(2)21-17-5-3-4-6-18(17)22-19/h3-10H,11-13H2,1-2H3