(3S,3aR,4S,6aR,9S,9aR,9bR)-3-[(4-fluorophenyl)sulfanylmethyl]-9-methyl-6-methylidene-4-oxidanyl-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione

Systemtic Name: (3S,3aR,4S,6aR,9S,9aR,9bR)-3-[(4-fluorophenyl)sulfanylmethyl]-9-methyl-6-methylidene-4-oxidanyl-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione Openeye Name: (3S,3aR,4S,6aR,9S,9aR,9bR)-3-[(4-fluorophenyl)sulfanylmethyl]-4-hydroxy-9-methyl-6-methylene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione CAS Name: (3S,3aR,4S,6aR,9S,9aR,9bR)-3-[[(4-fluorophenyl)thio]methyl]-4-hydroxy-9-methyl-6-methylene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione IUPAC Name: (3S,3aR,4S,6aR,9S,9aR,9bR)-3-[(4-fluorophenyl)sulfanylmethyl]-4-hydroxy-9-methyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione Traditional Name: (3S,3aR,4S,6aR,9S,9aR,9bR)-3-[[(4-fluorophenyl)thio]methyl]-4-hydroxy-9-methyl-6-methylene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-quinone Formula: C21H23FO4S MolecularWeight: 390.468323

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3CSC4=CC=C(C=C4)F)O

Isomeric SMILES

C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)[C@H]3CSC4=CC=C(C=C4)F)O

InChI

InChI=1S/C21H23FO4S/c1-10-7-17(24)19-15(9-27-13-5-3-12(22)4-6-13)21(25)26-20(19)18-11(2)16(23)8-14(10)18/h3-6,11,14-15,17-20,24H,1,7-9H2,2H3/t11-,14+,15+,17+,18+,19-,20-/m1/s1