2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]ethanoic acid

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]acetic acid CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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