3,3-dimethyl-2-[(4-methylsulfanylphenyl)carbonylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[(4-methylsulfanylphenyl)carbonylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[[4-(methylthio)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[4-(methylthio)benzoyl]amino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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