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

Systemtic Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetic acid CAS Name: 2-[[2-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]acetic acid IUPAC Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetic acid Traditional Name: 2-[[2-(3,3-dimethylbutanoylamino)phenyl]thio]acetic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-14(2,3)8-12(16)15-10-6-4-5-7-11(10)19-9-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)