ethyl (E,2S)-5-chloranyl-2-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-pent-3-enoate

Systemtic Name: ethyl (E,2S)-5-chloranyl-2-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-pent-3-enoate Openeye Name: ethyl (E,2S)-5-chloro-2-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-pent-3-enoate CAS Name: (E,2S)-5-chloro-2-[(4-methoxyphenyl)methylthio]-2,4-dimethyl-3-pentenoic acid ethyl ester IUPAC Name: ethyl (E,2S)-5-chloro-2-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethylpent-3-enoate Traditional Name: (E,2S)-5-chloro-2,4-dimethyl-2-(p-anisylthio)pent-3-enoic acid ethyl ester Formula: C17H23ClO3S MolecularWeight: 342.88072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClO3S/c1-5-21-16(19)17(3,10-13(2)11-18)22-12-14-6-8-15(20-4)9-7-14/h6-10H,5,11-12H2,1-4H3/b13-10+/t17-/m0/s1