(2-methoxy-5-methyl-phenyl)methyl (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (2-methoxy-5-methyl-benzyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4S/c1-14-4-9-19(26-2)16(12-14)13-27-21(25)18(10-11-28-3)23-20(24)15-5-7-17(22)8-6-15/h4-9,12,18H,10-11,13H2,1-3H3,(H,23,24)/t18-/m0/s1