6-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]hexanoic acid Openeye Name: 6-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]hexanoic acid CAS Name: 6-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]hexanoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-12-7-8-13(2)14(10-12)21-11-15(18)17-9-5-3-4-6-16(19)20/h7-8,10H,3-6,9,11H2,1-2H3,(H,17,18)(H,19,20)