2-chloranyl-N-[(5-methylsulfanyl-2-oxidanyl-3-propanoyl-phenyl)methyl]ethanamide

Systemtic Name: 2-chloranyl-N-[(5-methylsulfanyl-2-oxidanyl-3-propanoyl-phenyl)methyl]ethanamide Openeye Name: 2-chloro-N-[(2-hydroxy-5-methylsulfanyl-3-propanoyl-phenyl)methyl]acetamide CAS Name: 2-chloro-N-[[2-hydroxy-5-(methylthio)-3-(1-oxopropyl)phenyl]methyl]acetamide IUPAC Name: 2-chloro-N-[(2-hydroxy-5-methylsulfanyl-3-propanoylphenyl)methyl]acetamide Traditional Name: 2-chloro-N-[2-hydroxy-5-(methylthio)-3-propionyl-benzyl]acetamide Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=CC(=C1O)CNC(=O)CCl)SC

Isomeric SMILES

CCC(=O)C1=CC(=CC(=C1O)CNC(=O)CCl)SC

InChI

InChI=1S/C13H16ClNO3S/c1-3-11(16)10-5-9(19-2)4-8(13(10)18)7-15-12(17)6-14/h4-5,18H,3,6-7H2,1-2H3,(H,15,17)