2-[4-oxidanylidene-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-thiolan-3-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-thiolan-3-yl]ethanoic acid Openeye Name: 2-[5-[(4-isopropylphenyl)methylene]-4-oxo-2-thioxo-tetrahydrothiophen-3-yl]acetic acid CAS Name: 2-[4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-3-thiolanyl]acetic acid IUPAC Name: 2-[4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidenethiolan-3-yl]acetic acid Traditional Name: 2-[5-(4-isopropylbenzylidene)-4-keto-2-thioxo-tetrahydrothiophen-3-yl]acetic acid Formula: C16H16O3S2 MolecularWeight: 320.42644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C2C(=O)C(C(=S)S2)CC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=C2C(=O)C(C(=S)S2)CC(=O)O

InChI

InChI=1S/C16H16O3S2/c1-9(2)11-5-3-10(4-6-11)7-13-15(19)12(8-14(17)18)16(20)21-13/h3-7,9,12H,8H2,1-2H3,(H,17,18)