2-[methyl-[3-(methylsulfanylmethyl)phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-[3-(methylsulfanylmethyl)phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[methyl-[3-(methylsulfanylmethyl)benzoyl]amino]acetic acid CAS Name: 2-[methyl-[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[methyl-[3-(methylsulfanylmethyl)benzoyl]amino]acetic acid Traditional Name: 2-[methyl-[3-[(methylthio)methyl]benzoyl]amino]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C1=CC(=CC=C1)CSC

Isomeric SMILES

CN(CC(=O)O)C(=O)C1=CC(=CC=C1)CSC

InChI

InChI=1S/C12H15NO3S/c1-13(7-11(14)15)12(16)10-5-3-4-9(6-10)8-17-2/h3-6H,7-8H2,1-2H3,(H,14,15)