2-[4-[(4-oxidanylidenethiolan-3-yl)methyl]phenyl]propanethioic S-acid

Systemtic Name: 2-[4-[(4-oxidanylidenethiolan-3-yl)methyl]phenyl]propanethioic S-acid Openeye Name: 2-[4-[(4-oxotetrahydrothiophen-3-yl)methyl]phenyl]propanethioic S-acid CAS Name: 2-[4-[(4-oxo-3-thiolanyl)methyl]phenyl]propanethioic S-acid IUPAC Name: 2-[4-[(4-oxothiolan-3-yl)methyl]phenyl]propanethioic S-acid Traditional Name: 2-[4-[(4-ketotetrahydrothiophen-3-yl)methyl]phenyl]thiopropionic acid Formula: C14H16O2S2 MolecularWeight: 280.40564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CC2CSCC2=O)C(=O)S

Isomeric SMILES

CC(C1=CC=C(C=C1)CC2CSCC2=O)C(=O)S

InChI

InChI=1S/C14H16O2S2/c1-9(14(16)17)11-4-2-10(3-5-11)6-12-7-18-8-13(12)15/h2-5,9,12H,6-8H2,1H3,(H,16,17)