3-methyl-4-(3-methylsulfanylpropanoylamino)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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