(2R)-2-azaniumyl-3-(4-methylphenyl)carbonylsulfanyl-propanoate

Systemtic Name: (2R)-2-azaniumyl-3-(4-methylphenyl)carbonylsulfanyl-propanoate Openeye Name: (2R)-2-azaniumyl-3-(4-methylbenzoyl)sulfanyl-propanoate CAS Name: (2R)-2-ammonio-3-[[(4-methylphenyl)-oxomethyl]thio]propanoate IUPAC Name: (2R)-2-azaniumyl-3-(4-methylbenzoyl)sulfanylpropanoate Traditional Name: (2R)-2-ammonio-3-(p-toluoylthio)propionate 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-])[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC[C@@H](C(=O)[O-])[NH3+]

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)/t9-/m0/s1