quinolin-8-ylmethyl (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: quinolin-8-ylmethyl (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: 8-quinolylmethyl (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid 8-quinolylmethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=CC2=C1N=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)OCC1=CC=CC2=C1N=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-28-14-12-19(24-21(25)17-7-3-2-4-8-17)22(26)27-15-18-10-5-9-16-11-6-13-23-20(16)18/h2-11,13,19H,12,14-15H2,1H3,(H,24,25)/t19-/m0/s1