2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanyl-2-methoxy-ethanoic acid

Systemtic Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanyl-2-methoxy-ethanoic acid Openeye Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanyl-2-methoxy-acetic acid CAS Name: 2-[[4-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]thio]-2-methoxyacetic acid IUPAC Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanyl-2-methoxyacetic acid Traditional Name: 2-[[4-(2,2-dimethylbutanoylamino)phenyl]thio]-2-methoxy-acetic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-5-15(2,3)14(19)16-10-6-8-11(9-7-10)21-13(20-4)12(17)18/h6-9,13H,5H2,1-4H3,(H,16,19)(H,17,18)