5-(2-octylsulfinylpropyl)-1,3-benzodioxole; 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Systemtic Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole; 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Openeye Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole; 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one CAS Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole; 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one IUPAC Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole; 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Traditional Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole; 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Formula: C24H35NO4S2 MolecularWeight: 465.669

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.C1C=CN2C(S1)CC2=O

Isomeric SMILES

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.C1C=CN2C(S1)CC2=O

InChI

InChI=1S/C18H28O3S.C6H7NOS/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17;8-5-4-6-7(5)2-1-3-9-6/h9-10,13,15H,3-8,11-12,14H2,1-2H3;1-2,6H,3-4H2