(2,5-dimethylphenyl)methyl (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2,5-dimethylphenyl)methyl (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2,5-dimethylphenyl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (2,5-dimethylbenzyl) ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)[C@H](CCSC)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClNO3S/c1-14-4-5-15(2)17(12-14)13-26-21(25)19(10-11-27-3)23-20(24)16-6-8-18(22)9-7-16/h4-9,12,19H,10-11,13H2,1-3H3,(H,23,24)/t19-/m0/s1