3-[2-(4-methylphenyl)sulfanylethanoylamino]propanoic acid

Systemtic Name: 3-[2-(4-methylphenyl)sulfanylethanoylamino]propanoic acid Openeye Name: 3-[[2-(p-tolylsulfanyl)acetyl]amino]propanoic acid CAS Name: 3-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]propanoic acid Traditional Name: 3-[[2-(p-tolylthio)acetyl]amino]propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCCC(=O)O

InChI

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