4-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(2,2-dimethylbutanoylamino)phenyl]thio]butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-4-16(2,3)15(20)17-12-8-5-6-9-13(12)21-11-7-10-14(18)19/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,17,20)(H,18,19)