methyl 3-[(2-chloranyl-2-phenylsulfanyl-ethanoyl)amino]propanoate

Systemtic Name: methyl 3-[(2-chloranyl-2-phenylsulfanyl-ethanoyl)amino]propanoate Openeye Name: methyl 3-[(2-chloro-2-phenylsulfanyl-acetyl)amino]propanoate CAS Name: 3-[[2-chloro-1-oxo-2-(phenylthio)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-2-phenylsulfanylacetyl)amino]propanoate Traditional Name: 3-[[2-chloro-2-(phenylthio)acetyl]amino]propionic acid methyl ester Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO3S/c1-17-10(15)7-8-14-12(16)11(13)18-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,14,16)