4-(3-methylsulfanylpropanoylamino)benzoate

Systemtic Name: 4-(3-methylsulfanylpropanoylamino)benzoate Openeye Name: 4-(3-methylsulfanylpropanoylamino)benzoate CAS Name: 4-[[3-(methylthio)-1-oxopropyl]amino]benzoate IUPAC Name: 4-(3-methylsulfanylpropanoylamino)benzoate Traditional Name: 4-[3-(methylthio)propanoylamino]benzoate Formula: C11H12NO3S- MolecularWeight: 238.28288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO3S/c1-16-7-6-10(13)12-9-4-2-8(3-5-9)11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)/p-1