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

Systemtic Name: 2-[2-(2-methylbutanoylamino)phenyl]sulfanylpropanoic acid Openeye Name: 2-[2-(2-methylbutanoylamino)phenyl]sulfanylpropanoic acid CAS Name: 2-[[2-[(2-methyl-1-oxobutyl)amino]phenyl]thio]propanoic acid IUPAC Name: 2-[2-(2-methylbutanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(2-methylbutanoylamino)phenyl]thio]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-4-9(2)13(16)15-11-7-5-6-8-12(11)19-10(3)14(17)18/h5-10H,4H2,1-3H3,(H,15,16)(H,17,18)