2-methyl-2-[2-(pentanoylamino)phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-2-[2-(pentanoylamino)phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[2-(pentanoylamino)phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[2-(1-oxopentylamino)phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[2-(pentanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 2-methyl-2-[[2-(valerylamino)phenyl]thio]propionic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=CC=C1SC(C)(C)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=CC=CC=C1SC(C)(C)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-4-5-10-13(17)16-11-8-6-7-9-12(11)20-15(2,3)14(18)19/h6-9H,4-5,10H2,1-3H3,(H,16,17)(H,18,19)