7-(2-phenylsulfanylethanoylamino)heptanoic acid

Systemtic Name: 7-(2-phenylsulfanylethanoylamino)heptanoic acid Openeye Name: 7-[(2-phenylsulfanylacetyl)amino]heptanoic acid CAS Name: 7-[[1-oxo-2-(phenylthio)ethyl]amino]heptanoic acid IUPAC Name: 7-[(2-phenylsulfanylacetyl)amino]heptanoic acid Traditional Name: 7-[[2-(phenylthio)acetyl]amino]enanthic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c17-14(12-20-13-8-4-3-5-9-13)16-11-7-2-1-6-10-15(18)19/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17)(H,18,19)