3-[(4-methylphenyl)carbamoylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-methylphenyl)carbamoylsulfanyl]propanoic acid Openeye Name: 3-(p-tolylcarbamoylsulfanyl)propanoic acid CAS Name: 3-[[(4-methylanilino)-oxomethyl]thio]propanoic acid IUPAC Name: 3-[(4-methylphenyl)carbamoylsulfanyl]propanoic acid Traditional Name: 3-(p-tolylcarbamoylthio)propionic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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