7-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]heptanoic acid

Systemtic Name: 7-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]heptanoic acid Openeye Name: 7-[[4-(methylsulfanylmethyl)benzoyl]amino]heptanoic acid CAS Name: 7-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[[4-(methylsulfanylmethyl)benzoyl]amino]heptanoic acid Traditional Name: 7-[[4-[(methylthio)methyl]benzoyl]amino]enanthic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NCCCCCCC(=O)O

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NCCCCCCC(=O)O

InChI

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