(2-chloranyl-7-methyl-quinolin-3-yl)methyl (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (2-chloro-7-methyl-3-quinolyl)methyl (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid (2-chloro-7-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-3-yl)methyl (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid (2-chloro-7-methyl-3-quinolyl)methyl ester Formula: C23H23ClN2O3S MolecularWeight: 442.95832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)[C@H](CCSC)NC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H23ClN2O3S/c1-15-8-9-17-13-18(21(24)25-20(17)12-15)14-29-23(28)19(10-11-30-2)26-22(27)16-6-4-3-5-7-16/h3-9,12-13,19H,10-11,14H2,1-2H3,(H,26,27)/t19-/m0/s1