2-azanyl-3-(4-methylphenyl)carbonylsulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-(4-methylphenyl)carbonylsulfanyl-propanoic acid Openeye Name: 2-amino-3-(4-methylbenzoyl)sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(4-methylphenyl)-oxomethyl]thio]propanoic acid IUPAC Name: 2-amino-3-(4-methylbenzoyl)sulfanylpropanoic acid Traditional Name: 2-amino-3-(p-toluoylthio)propionic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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