methyl 4-[(2-chloranyl-2-phenylsulfanyl-ethanoyl)amino]butanoate

Systemtic Name: methyl 4-[(2-chloranyl-2-phenylsulfanyl-ethanoyl)amino]butanoate Openeye Name: methyl 4-[(2-chloro-2-phenylsulfanyl-acetyl)amino]butanoate CAS Name: 4-[[2-chloro-1-oxo-2-(phenylthio)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-chloro-2-phenylsulfanylacetyl)amino]butanoate Traditional Name: 4-[[2-chloro-2-(phenylthio)acetyl]amino]butyric acid methyl ester Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C(SC1=CC=CC=C1)Cl

Isomeric SMILES

COC(=O)CCCNC(=O)C(SC1=CC=CC=C1)Cl

InChI

InChI=1S/C13H16ClNO3S/c1-18-11(16)8-5-9-15-13(17)12(14)19-10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3,(H,15,17)