2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-(2,2-dimethylbutanoylamino)phenyl]thio]-2-methyl-propionic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)NC1=CC=C(C=C1)SC(C)(C)C(=O)O

Isomeric SMILES

CCC(C)(C)C(=O)NC1=CC=C(C=C1)SC(C)(C)C(=O)O

InChI

InChI=1S/C16H23NO3S/c1-6-15(2,3)13(18)17-11-7-9-12(10-8-11)21-16(4,5)14(19)20/h7-10H,6H2,1-5H3,(H,17,18)(H,19,20)