N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-thiochromen-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-thiochromen-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-thiochromen-2-yl]-4-fluoro-benzamide CAS Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-1-benzothiopyran-2-yl]-4-fluorobenzamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxothiochromen-2-yl]-4-fluorobenzamide Traditional Name: N-[3-(1,3-benzodioxol-5-yl)-4-keto-thiochromen-2-yl]-4-fluoro-benzamide Formula: C23H14FNO4S MolecularWeight: 419.424963

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(SC4=CC=CC=C4C3=O)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(SC4=CC=CC=C4C3=O)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H14FNO4S/c24-15-8-5-13(6-9-15)22(27)25-23-20(14-7-10-17-18(11-14)29-12-28-17)21(26)16-3-1-2-4-19(16)30-23/h1-11H,12H2,(H,25,27)