(3R,4S)-6-ethoxy-5-methoxy-4-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-6-oxidanylidene-3-phenylsulfanyl-hexanoic acid

Systemtic Name: (3R,4S)-6-ethoxy-5-methoxy-4-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-6-oxidanylidene-3-phenylsulfanyl-hexanoic acid Openeye Name: (3R,4S)-6-ethoxy-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-5-methoxy-6-oxo-3-phenylsulfanyl-hexanoic acid CAS Name: (3R,4S)-6-ethoxy-5-methoxy-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-3-(phenylthio)hexanoic acid IUPAC Name: (3R,4S)-6-ethoxy-5-methoxy-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxo-3-phenylsulfanylhexanoic acid Traditional Name: (3R,4S)-6-ethoxy-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-6-keto-5-methoxy-3-(phenylthio)hexanoic acid Formula: C25H38O6S MolecularWeight: 466.63062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(CC(=O)O)SC1=CC=CC=C1)OC2CC(CCC2C(C)C)C)OC

Isomeric SMILES

CCOC(=O)C([C@@H]([C@@H](CC(=O)O)SC1=CC=CC=C1)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)OC

InChI

InChI=1S/C25H38O6S/c1-6-30-25(28)24(29-5)23(31-20-14-17(4)12-13-19(20)16(2)3)21(15-22(26)27)32-18-10-8-7-9-11-18/h7-11,16-17,19-21,23-24H,6,12-15H2,1-5H3,(H,26,27)/t17-,19+,20-,21-,23-,24?/m1/s1