(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C16H16O3S2 MolecularWeight: 320.42644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)C2=CC=CS2

InChI

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