(2S)-4-bromanyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-phenylsulfanyl-2H-furan-5-one

Systemtic Name: (2S)-4-bromanyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-phenylsulfanyl-2H-furan-5-one Openeye Name: (2S)-4-bromo-2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-phenylsulfanyl-2H-furan-5-one CAS Name: (2S)-4-bromo-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(phenylthio)-2H-furan-5-one IUPAC Name: (2S)-4-bromo-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-phenylsulfanyl-2H-furan-5-one Traditional Name: (2S)-4-bromo-2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-(phenylthio)-2H-furan-5-one Formula: C20H25BrO3S MolecularWeight: 425.3797

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2C(=C(C(=O)O2)Br)SC3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H]2C(=C(C(=O)O2)Br)SC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C20H25BrO3S/c1-12(2)15-10-9-13(3)11-16(15)23-20-18(17(21)19(22)24-20)25-14-7-5-4-6-8-14/h4-8,12-13,15-16,20H,9-11H2,1-3H3/t13-,15+,16-,20+/m1/s1