2-[2-(2-methoxyethanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[2-(2-methoxyethanoylamino)phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[2-[(2-methoxyacetyl)amino]phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[2-[(2-methoxy-1-oxoethyl)amino]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[2-[(2-methoxyacetyl)amino]phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[2-[(2-methoxyacetyl)amino]phenyl]thio]-2-methyl-propionic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-13(2,12(16)17)19-10-7-5-4-6-9(10)14-11(15)8-18-3/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)