(2-ethoxyphenyl)methyl (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC1=CC=CC=C1COC(=O)[C@H](CCSC)NC(=O)C2=CC=C(C=C2)Cl

InChI

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