2-[4-(3-methylsulfanylpropanoylamino)phenyl]ethanoate

Systemtic Name: 2-[4-(3-methylsulfanylpropanoylamino)phenyl]ethanoate Openeye Name: 2-[4-(3-methylsulfanylpropanoylamino)phenyl]acetate CAS Name: 2-[4-[[3-(methylthio)-1-oxopropyl]amino]phenyl]acetate IUPAC Name: 2-[4-(3-methylsulfanylpropanoylamino)phenyl]acetate Traditional Name: 2-[4-[3-(methylthio)propanoylamino]phenyl]acetate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1=CC=C(C=C1)CC(=O)[O-]

Isomeric SMILES

CSCCC(=O)NC1=CC=C(C=C1)CC(=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-17-7-6-11(14)13-10-4-2-9(3-5-10)8-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)/p-1