4-[2-(pentanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(pentanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(pentanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-(1-oxopentylamino)phenyl]thio]butanoic acid IUPAC Name: 4-[2-(pentanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(valerylamino)phenyl]thio]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CCCCC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-2-3-9-14(17)16-12-7-4-5-8-13(12)20-11-6-10-15(18)19/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,16,17)(H,18,19)