3,3-dimethyl-2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[3-[(methylthio)methyl]benzoyl]amino]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)C1=CC(=CC=C1)CSC

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)C1=CC(=CC=C1)CSC

InChI

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