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

Systemtic Name: 2-[methyl-(2-methyl-5-methylsulfanyl-phenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-[methyl-(2-methyl-5-methylsulfanyl-benzoyl)amino]acetic acid CAS Name: 2-[methyl-[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[methyl-(2-methyl-5-methylsulfanylbenzoyl)amino]acetic acid Traditional Name: 2-[methyl-[2-methyl-5-(methylthio)benzoyl]amino]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-8-4-5-9(17-3)6-10(8)12(16)13(2)7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15)