2-[2-(2-methylpropanoylamino)phenyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-(2-methylpropanoylamino)phenyl]sulfanylpropanoic acid Openeye Name: 2-[2-(2-methylpropanoylamino)phenyl]sulfanylpropanoic acid CAS Name: 2-[[2-[(2-methyl-1-oxopropyl)amino]phenyl]thio]propanoic acid IUPAC Name: 2-[2-(2-methylpropanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(isobutyrylamino)phenyl]thio]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC=C1SC(C)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC=C1SC(C)C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-8(2)12(15)14-10-6-4-5-7-11(10)18-9(3)13(16)17/h4-9H,1-3H3,(H,14,15)(H,16,17)