S-[2-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-(7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)-2-oxoethyl] ester IUPAC Name: S-[2-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(7-tert-butyl-3,3-dimethyl-coumaran-5-yl)-2-keto-ethyl] ester Formula: C18H24O3S MolecularWeight: 320.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC2=C(C(=C1)C(C)(C)C)OCC2(C)C

Isomeric SMILES

CC(=O)SCC(=O)C1=CC2=C(C(=C1)C(C)(C)C)OCC2(C)C

InChI

InChI=1S/C18H24O3S/c1-11(19)22-9-15(20)12-7-13(17(2,3)4)16-14(8-12)18(5,6)10-21-16/h7-8H,9-10H2,1-6H3