2-[3-(4-methylphenyl)sulfanylpropanoylamino]ethanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]ethanoic acid Openeye Name: 2-[3-(p-tolylsulfanyl)propanoylamino]acetic acid CAS Name: 2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]acetic acid Traditional Name: 2-[3-(p-tolylthio)propanoylamino]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NCC(=O)O

InChI

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