(2S,3R,3aS,8aR)-3-ethyl-2-(3-methylbut-2-en-2-yl)-3a-phenylsulfanyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one

Systemtic Name: (2S,3R,3aS,8aR)-3-ethyl-2-(3-methylbut-2-en-2-yl)-3a-phenylsulfanyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one Openeye Name: (2S,3R,3aS,8aR)-2-(1,2-dimethylprop-1-enyl)-3-ethyl-3a-phenylsulfanyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one CAS Name: (2S,3R,3aS,8aR)-3-ethyl-2-(3-methylbut-2-en-2-yl)-3a-(phenylthio)-1,2,3,5,6,7,8,8a-octahydroazulen-4-one IUPAC Name: (2S,3R,3aS,8aR)-3-ethyl-2-(3-methylbut-2-en-2-yl)-3a-phenylsulfanyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one Traditional Name: (2S,3R,3aS,8aR)-2-(1,2-dimethylprop-1-enyl)-3-ethyl-3a-(phenylthio)-1,2,3,5,6,7,8,8a-octahydroazulen-4-one Formula: C23H32OS MolecularWeight: 356.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC2C1(C(=O)CCCC2)SC3=CC=CC=C3)C(=C(C)C)C

Isomeric SMILES

CC[C@@H]1[C@H](C[C@@H]2[C@]1(C(=O)CCCC2)SC3=CC=CC=C3)C(=C(C)C)C

InChI

InChI=1S/C23H32OS/c1-5-21-20(17(4)16(2)3)15-18-11-9-10-14-22(24)23(18,21)25-19-12-7-6-8-13-19/h6-8,12-13,18,20-21H,5,9-11,14-15H2,1-4H3/t18-,20-,21-,23+/m1/s1