5-[2-(2-sulfanylphenyl)propanoyl]thiolane-3-carboxylic acid

Systemtic Name: 5-[2-(2-sulfanylphenyl)propanoyl]thiolane-3-carboxylic acid Openeye Name: 5-[2-(2-sulfanylphenyl)propanoyl]tetrahydrothiophene-3-carboxylic acid CAS Name: 5-[2-(2-mercaptophenyl)-1-oxopropyl]-3-thiolanecarboxylic acid IUPAC Name: 5-[2-(2-sulfanylphenyl)propanoyl]thiolane-3-carboxylic acid Traditional Name: 5-[2-(2-mercaptophenyl)propanoyl]tetrahydrothiophene-3-carboxylic acid Formula: C14H16O3S2 MolecularWeight: 296.40504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1S)C(=O)C2CC(CS2)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1S)C(=O)C2CC(CS2)C(=O)O

InChI

InChI=1S/C14H16O3S2/c1-8(10-4-2-3-5-11(10)18)13(15)12-6-9(7-19-12)14(16)17/h2-5,8-9,12,18H,6-7H2,1H3,(H,16,17)