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

Systemtic Name: 4-[2-(2-methylpropanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(2-methylpropanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[(2-methyl-1-oxopropyl)amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(2-methylpropanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(isobutyrylamino)phenyl]thio]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-10(2)14(18)15-11-6-3-4-7-12(11)19-9-5-8-13(16)17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,18)(H,16,17)