ethyl (E,2R,3R,6S)-7-methoxy-2-(4-methoxyphenyl)sulfanyl-4,6-dimethyl-3-phenethyl-hept-4-enoate

Systemtic Name: ethyl (E,2R,3R,6S)-7-methoxy-2-(4-methoxyphenyl)sulfanyl-4,6-dimethyl-3-phenethyl-hept-4-enoate Openeye Name: ethyl (E,2R,3R,6S)-7-methoxy-2-(4-methoxyphenyl)sulfanyl-4,6-dimethyl-3-phenethyl-hept-4-enoate CAS Name: (E,2R,3R,6S)-7-methoxy-2-[(4-methoxyphenyl)thio]-4,6-dimethyl-3-phenethyl-4-heptenoic acid ethyl ester IUPAC Name: ethyl (E,2R,3R,6S)-7-methoxy-2-(4-methoxyphenyl)sulfanyl-4,6-dimethyl-3-phenethylhept-4-enoate Traditional Name: (E,2R,3R,6S)-7-methoxy-2-[(4-methoxyphenyl)thio]-4,6-dimethyl-3-phenethyl-hept-4-enoic acid ethyl ester Formula: C27H36O4S MolecularWeight: 456.63734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CCC1=CC=CC=C1)C(=CC(C)COC)C)SC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](CCC1=CC=CC=C1)/C(=C/[C@H](C)COC)/C)SC2=CC=C(C=C2)OC

InChI

InChI=1S/C27H36O4S/c1-6-31-27(28)26(32-24-15-13-23(30-5)14-16-24)25(21(3)18-20(2)19-29-4)17-12-22-10-8-7-9-11-22/h7-11,13-16,18,20,25-26H,6,12,17,19H2,1-5H3/b21-18+/t20-,25+,26+/m0/s1