methyl (2S)-2-[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H24ClN3O3S MolecularWeight: 385.90876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H24ClN3O3S/c1-24-16(22)15(6-11-25-2)19-17(23)21-9-7-20(8-10-21)14-5-3-4-13(18)12-14/h3-5,12,15H,6-11H2,1-2H3,(H,19,23)/t15-/m0/s1