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

Systemtic Name: 2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylacetic acid CAS Name: 2-[[2-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]thio]acetic acid IUPAC Name: 2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylacetic acid Traditional Name: 2-[[2-(2,2-dimethylbutanoylamino)phenyl]thio]acetic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)NC1=CC=CC=C1SCC(=O)O

Isomeric SMILES

CCC(C)(C)C(=O)NC1=CC=CC=C1SCC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-4-14(2,3)13(18)15-10-7-5-6-8-11(10)19-9-12(16)17/h5-8H,4,9H2,1-3H3,(H,15,18)(H,16,17)