1-(1,3-benzodioxol-5-ylmethoxy)-3-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[(6-fluorothiochroman-4-yl)amino]propan-2-ol CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-2-propanol IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol Traditional Name: 1-[(6-fluorothiochroman-4-yl)amino]-3-piperonyloxy-propan-2-ol Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NCC(COCC3=CC4=C(C=C3)OCO4)O)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NCC(COCC3=CC4=C(C=C3)OCO4)O)C=C(C=C2)F

InChI

InChI=1S/C20H22FNO4S/c21-14-2-4-20-16(8-14)17(5-6-27-20)22-9-15(23)11-24-10-13-1-3-18-19(7-13)26-12-25-18/h1-4,7-8,15,17,22-23H,5-6,9-12H2