methyl 2-[(3-azanyl-2-chloranyl-3-oxidanylidene-propyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(3-azanyl-2-chloranyl-3-oxidanylidene-propyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(3-amino-2-chloro-3-oxo-propyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(3-amino-2-chloro-3-oxopropyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(3-amino-2-chloro-3-oxopropyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(3-amino-2-chloro-3-keto-propyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C9H17ClN2O3S MolecularWeight: 268.76088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NCC(C(=O)N)Cl

Isomeric SMILES

COC(=O)C(CCSC)NCC(C(=O)N)Cl

InChI

InChI=1S/C9H17ClN2O3S/c1-15-9(14)7(3-4-16-2)12-5-6(10)8(11)13/h6-7,12H,3-5H2,1-2H3,(H2,11,13)