2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]ethanoic acid Openeye Name: 2-[(2-methyl-5-methylsulfanyl-benzoyl)amino]acetic acid CAS Name: 2-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]acetic acid Traditional Name: 2-[[2-methyl-5-(methylthio)benzoyl]amino]acetic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NCC(=O)O

InChI

InChI=1S/C11H13NO3S/c1-7-3-4-8(16-2)5-9(7)11(15)12-6-10(13)14/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)