7-[(2-methylsulfanylphenyl)carbonylamino]heptanoic acid

Systemtic Name: 7-[(2-methylsulfanylphenyl)carbonylamino]heptanoic acid Openeye Name: 7-[(2-methylsulfanylbenzoyl)amino]heptanoic acid CAS Name: 7-[[[2-(methylthio)phenyl]-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(2-methylsulfanylbenzoyl)amino]heptanoic acid Traditional Name: 7-[[2-(methylthio)benzoyl]amino]enanthic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCCCCCCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-20-13-9-6-5-8-12(13)15(19)16-11-7-3-2-4-10-14(17)18/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,16,19)(H,17,18)