2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]acetic acid CAS Name: 2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]acetic acid Traditional Name: 2-[[2-[(3-methylbenzyl)thio]acetyl]amino]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NCC(=O)O

InChI

InChI=1S/C12H15NO3S/c1-9-3-2-4-10(5-9)7-17-8-11(14)13-6-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)