7-[2-(4-methylphenyl)sulfanylethanoylamino]heptanoic acid

Systemtic Name: 7-[2-(4-methylphenyl)sulfanylethanoylamino]heptanoic acid Openeye Name: 7-[[2-(p-tolylsulfanyl)acetyl]amino]heptanoic acid CAS Name: 7-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]heptanoic acid IUPAC Name: 7-[[2-(4-methylphenyl)sulfanylacetyl]amino]heptanoic acid Traditional Name: 7-[[2-(p-tolylthio)acetyl]amino]enanthic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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