(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[(4,8-dimethyl-2-quinolinyl)thio]-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropan-2-ol Traditional Name: (2S)-1-[(4,8-dimethyl-2-quinolyl)thio]-3-piperonyloxy-propan-2-ol Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SC[C@H](COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H23NO4S/c1-14-4-3-5-18-15(2)8-21(23-22(14)18)28-12-17(24)11-25-10-16-6-7-19-20(9-16)27-13-26-19/h3-9,17,24H,10-13H2,1-2H3/t17-/m0/s1