O1-tert-butyl O5-ethyl (E,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-pent-2-enedioate

Systemtic Name: O1-tert-butyl O5-ethyl (E,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-pent-2-enedioate Openeye Name: O1-tert-butyl O5-ethyl (E,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-pent-2-enedioate CAS Name: (E,4S)-4-[(4-methoxyphenyl)methylthio]-2,4-dimethyl-2-pentenedioic acid O1-tert-butyl ester O5-ethyl ester IUPAC Name: 1-O-tert-butyl 5-O-ethyl (E,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethylpent-2-enedioate Traditional Name: (E,4S)-2,4-dimethyl-4-(p-anisylthio)pent-2-enedioic acid O1-tert-butyl ester O5-ethyl ester Formula: C21H30O5S MolecularWeight: 394.5249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C=C(C)C(=O)OC(C)(C)C)SCC1=CC=C(C=C1)OC

Isomeric SMILES

CCOC(=O)[C@](C)(/C=C(\C)/C(=O)OC(C)(C)C)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C21H30O5S/c1-8-25-19(23)21(6,13-15(2)18(22)26-20(3,4)5)27-14-16-9-11-17(24-7)12-10-16/h9-13H,8,14H2,1-7H3/b15-13+/t21-/m0/s1