6-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]hexanoic acid Openeye Name: 6-[[2-(m-tolylmethylsulfanyl)acetyl]amino]hexanoic acid CAS Name: 6-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(3-methylbenzyl)thio]acetyl]amino]hexanoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-13-6-5-7-14(10-13)11-21-12-15(18)17-9-4-2-3-8-16(19)20/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,17,18)(H,19,20)