5-(ethanoylsulfanylmethyl)-5-methyl-thiolane-3-carboxylic acid

Systemtic Name: 5-(ethanoylsulfanylmethyl)-5-methyl-thiolane-3-carboxylic acid Openeye Name: 5-(acetylsulfanylmethyl)-5-methyl-tetrahydrothiophene-3-carboxylic acid CAS Name: 5-[(acetylthio)methyl]-5-methyl-3-thiolanecarboxylic acid IUPAC Name: 5-(acetylsulfanylmethyl)-5-methylthiolane-3-carboxylic acid Traditional Name: 5-[(acetylthio)methyl]-5-methyl-tetrahydrothiophene-3-carboxylic acid Formula: C9H14O3S2 MolecularWeight: 234.33566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1(CC(CS1)C(=O)O)C

Isomeric SMILES

CC(=O)SCC1(CC(CS1)C(=O)O)C

InChI

InChI=1S/C9H14O3S2/c1-6(10)13-5-9(2)3-7(4-14-9)8(11)12/h7H,3-5H2,1-2H3,(H,11,12)