7-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]heptanoic acid

Systemtic Name: 7-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]heptanoic acid Openeye Name: 7-[(2-methyl-5-methylsulfanyl-benzoyl)amino]heptanoic acid CAS Name: 7-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(2-methyl-5-methylsulfanylbenzoyl)amino]heptanoic acid Traditional Name: 7-[[2-methyl-5-(methylthio)benzoyl]amino]enanthic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NCCCCCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C16H23NO3S/c1-12-8-9-13(21-2)11-14(12)16(20)17-10-6-4-3-5-7-15(18)19/h8-9,11H,3-7,10H2,1-2H3,(H,17,20)(H,18,19)