tert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]-2,6,6-trimethyl-pyran-3-carboxylate

Systemtic Name: tert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]-2,6,6-trimethyl-pyran-3-carboxylate Openeye Name: tert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]-2,6,6-trimethyl-pyran-3-carboxylate CAS Name: 4-[(4-methoxyphenyl)methylthio]-2,6,6-trimethyl-3-pyrancarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]-2,6,6-trimethylpyran-3-carboxylate Traditional Name: 2,6,6-trimethyl-4-(p-anisylthio)pyran-3-carboxylic acid tert-butyl ester Formula: C21H28O4S MolecularWeight: 376.50962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(O1)(C)C)SCC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC(O1)(C)C)SCC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28O4S/c1-14-18(19(22)25-20(2,3)4)17(12-21(5,6)24-14)26-13-15-8-10-16(23-7)11-9-15/h8-12H,13H2,1-7H3