2-(3-methylsulfanylpropanoylamino)-2-phenyl-ethanoic acid

Systemtic Name: 2-(3-methylsulfanylpropanoylamino)-2-phenyl-ethanoic acid Openeye Name: 2-(3-methylsulfanylpropanoylamino)-2-phenyl-acetic acid CAS Name: 2-[[3-(methylthio)-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: 2-(3-methylsulfanylpropanoylamino)-2-phenylacetic acid Traditional Name: 2-[3-(methylthio)propanoylamino]-2-phenyl-acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CSCCC(=O)NC(C1=CC=CC=C1)C(=O)O

InChI

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