2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 2-[[2-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]butanoic acid IUPAC Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 2-[[2-(3,3-dimethylbutanoylamino)phenyl]thio]butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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