methyl (2S,3S)-3-ethylsulfanylcarbonyl-6-[(4-methoxyphenyl)methoxymethyl]-2-methyl-2-oxidanyl-hept-6-enoate

Systemtic Name: methyl (2S,3S)-3-ethylsulfanylcarbonyl-6-[(4-methoxyphenyl)methoxymethyl]-2-methyl-2-oxidanyl-hept-6-enoate Openeye Name: methyl (2S,3S)-3-ethylsulfanylcarbonyl-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]-2-methyl-hept-6-enoate CAS Name: (2S,3S)-3-[(ethylthio)-oxomethyl]-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]-2-methyl-6-heptenoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-ethylsulfanylcarbonyl-2-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]-2-methylhept-6-enoate Traditional Name: (2S,3S)-3-(ethylthio)carbonyl-2-hydroxy-2-methyl-6-(p-anisyloxymethyl)hept-6-enoic acid methyl ester Formula: C21H30O6S MolecularWeight: 410.5243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(CCC(=C)COCC1=CC=C(C=C1)OC)C(C)(C(=O)OC)O

Isomeric SMILES

CCSC(=O)[C@@H](CCC(=C)COCC1=CC=C(C=C1)OC)[C@@](C)(C(=O)OC)O

InChI

InChI=1S/C21H30O6S/c1-6-28-19(22)18(21(3,24)20(23)26-5)12-7-15(2)13-27-14-16-8-10-17(25-4)11-9-16/h8-11,18,24H,2,6-7,12-14H2,1,3-5H3/t18-,21+/m1/s1