methyl (2R)-2-[[2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-4-methylsulfanyl-2-[[2-(p-tolyl)quinoline-4-carbonyl]amino]butanoate CAS Name: (2R)-2-[[[2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-[[2-(p-tolyl)quinoline-4-carbonyl]amino]butyric acid methyl ester Formula: C23H24N2O3S MolecularWeight: 408.51326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C23H24N2O3S/c1-15-8-10-16(11-9-15)21-14-18(17-6-4-5-7-19(17)24-21)22(26)25-20(12-13-29-3)23(27)28-2/h4-11,14,20H,12-13H2,1-3H3,(H,25,26)/t20-/m1/s1