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

Systemtic Name: ethyl (E,2S)-5-chloranyl-2-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-5-oxidanylidene-pent-3-enoate Openeye Name: ethyl (E,2S)-5-chloro-2-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-5-oxo-pent-3-enoate CAS Name: (E,2S)-5-chloro-2-[(4-methoxyphenyl)methylthio]-2,4-dimethyl-5-oxo-3-pentenoic acid ethyl ester IUPAC Name: ethyl (E,2S)-5-chloro-2-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-5-oxopent-3-enoate Traditional Name: (E,2S)-5-chloro-5-keto-2,4-dimethyl-2-(p-anisylthio)pent-3-enoic acid ethyl ester Formula: C17H21ClO4S MolecularWeight: 356.86424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClO4S/c1-5-22-16(20)17(3,10-12(2)15(18)19)23-11-13-6-8-14(21-4)9-7-13/h6-10H,5,11H2,1-4H3/b12-10+/t17-/m0/s1