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

Systemtic Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoic acid Openeye Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoic acid CAS Name: 2-[[2-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]propanoic acid IUPAC Name: 2-[2-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(3,3-dimethylbutanoylamino)phenyl]thio]propionic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-10(14(18)19)20-12-8-6-5-7-11(12)16-13(17)9-15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19)