2-(3-methylphenoxy)ethyl (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-(3-methylphenoxy)ethyl (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-(3-methylphenoxy)ethyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid 2-(3-methylphenoxy)ethyl ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4S/c1-15-4-3-5-18(14-15)26-11-12-27-21(25)19(10-13-28-2)23-20(24)16-6-8-17(22)9-7-16/h3-9,14,19H,10-13H2,1-2H3,(H,23,24)/t19-/m0/s1