methyl (2S)-2-[2-(3,4-dichlorophenyl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(3,4-dichlorophenyl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(3,4-dichlorophenyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C14H17Cl2NO3S MolecularWeight: 350.26068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Cl2NO3S/c1-20-14(19)12(5-6-21-2)17-13(18)8-9-3-4-10(15)11(16)7-9/h3-4,7,12H,5-6,8H2,1-2H3,(H,17,18)/t12-/m0/s1