2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[2-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[2-(3,3-dimethylbutanoylamino)phenyl]thio]-2-methyl-propionic acid Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-15(2,3)10-13(18)17-11-8-6-7-9-12(11)21-16(4,5)14(19)20/h6-9H,10H2,1-5H3,(H,17,18)(H,19,20)