2-[2-(2,5-dimethylphenyl)sulfanylethanoyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethanoyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methyl-amino]acetic acid CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetic acid Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]-methyl-amino]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-9-4-5-10(2)11(6-9)18-8-12(15)14(3)7-13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)