(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2,3,4,5,6-pentamethylbenzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C18H20O3S MolecularWeight: 316.4146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)C2=CC=CS2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)C2=CC=CS2)C)C

InChI

InChI=1S/C18H20O3S/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)21-9-15(19)16-7-6-8-22-16/h6-8H,9H2,1-5H3