ethyl (2S)-2-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-4-oxidanyl-hex-5-enoate

Systemtic Name: ethyl (2S)-2-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-4-oxidanyl-hex-5-enoate Openeye Name: ethyl (2S)-4-hydroxy-2-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-hex-5-enoate CAS Name: (2S)-4-hydroxy-2-[(4-methoxyphenyl)methylthio]-2,4-dimethyl-5-hexenoic acid ethyl ester IUPAC Name: ethyl (2S)-4-hydroxy-2-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethylhex-5-enoate Traditional Name: (2S)-4-hydroxy-2,4-dimethyl-2-(p-anisylthio)hex-5-enoic acid ethyl ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O4S/c1-6-17(3,20)13-18(4,16(19)22-7-2)23-12-14-8-10-15(21-5)11-9-14/h6,8-11,20H,1,7,12-13H2,2-5H3/t17?,18-/m0/s1