2-(2-methyl-3-sulfanyl-propanoyl)oxy-4-phenoxy-butanoic acid

Systemtic Name: 2-(2-methyl-3-sulfanyl-propanoyl)oxy-4-phenoxy-butanoic acid Openeye Name: 2-(2-methyl-3-sulfanyl-propanoyl)oxy-4-phenoxy-butanoic acid CAS Name: 2-(3-mercapto-2-methyl-1-oxopropoxy)-4-phenoxybutanoic acid IUPAC Name: 2-(2-methyl-3-sulfanylpropanoyl)oxy-4-phenoxybutanoic acid Traditional Name: 2-(3-mercapto-2-methyl-propanoyl)oxy-4-phenoxy-butyric acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)OC(CCOC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CS)C(=O)OC(CCOC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H18O5S/c1-10(9-20)14(17)19-12(13(15)16)7-8-18-11-5-3-2-4-6-11/h2-6,10,12,20H,7-9H2,1H3,(H,15,16)