7-[(4-methylsulfanylphenyl)carbonylamino]heptanoic acid

Systemtic Name: 7-[(4-methylsulfanylphenyl)carbonylamino]heptanoic acid Openeye Name: 7-[(4-methylsulfanylbenzoyl)amino]heptanoic acid CAS Name: 7-[[[4-(methylthio)phenyl]-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(4-methylsulfanylbenzoyl)amino]heptanoic acid Traditional Name: 7-[[4-(methylthio)benzoyl]amino]enanthic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NCCCCCCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-20-13-9-7-12(8-10-13)15(19)16-11-5-3-2-4-6-14(17)18/h7-10H,2-6,11H2,1H3,(H,16,19)(H,17,18)