5-methyl-2-(3-methylsulfanylpropanoylamino)benzoate

Systemtic Name: 5-methyl-2-(3-methylsulfanylpropanoylamino)benzoate Openeye Name: 5-methyl-2-(3-methylsulfanylpropanoylamino)benzoate CAS Name: 5-methyl-2-[[3-(methylthio)-1-oxopropyl]amino]benzoate IUPAC Name: 5-methyl-2-(3-methylsulfanylpropanoylamino)benzoate Traditional Name: 5-methyl-2-[3-(methylthio)propanoylamino]benzoate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCSC)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCSC)C(=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-8-3-4-10(9(7-8)12(15)16)13-11(14)5-6-17-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,16)/p-1