2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 2-[[2-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]thio]butanoic acid IUPAC Name: 2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 2-[[2-(2,2-dimethylbutanoylamino)phenyl]thio]butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=CC=CC=C1NC(=O)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)O)SC1=CC=CC=C1NC(=O)C(C)(C)CC

InChI

InChI=1S/C16H23NO3S/c1-5-12(14(18)19)21-13-10-8-7-9-11(13)17-15(20)16(3,4)6-2/h7-10,12H,5-6H2,1-4H3,(H,17,20)(H,18,19)