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

Systemtic Name: 2-[2-(2-methylbutanoylamino)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(2-methylbutanoylamino)phenyl]sulfanylacetic acid CAS Name: 2-[[2-[(2-methyl-1-oxobutyl)amino]phenyl]thio]acetic acid IUPAC Name: 2-[2-(2-methylbutanoylamino)phenyl]sulfanylacetic acid Traditional Name: 2-[[2-(2-methylbutanoylamino)phenyl]thio]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC=CC=C1SCC(=O)O

Isomeric SMILES

CCC(C)C(=O)NC1=CC=CC=C1SCC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-3-9(2)13(17)14-10-6-4-5-7-11(10)18-8-12(15)16/h4-7,9H,3,8H2,1-2H3,(H,14,17)(H,15,16)