N-[2-[[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[(4S)-6-fluorothiochroman-4-yl]amino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[(4S)-6-fluorothiochroman-4-yl]amino]-2-keto-ethyl]-piperonylamide Formula: C19H17FN2O4S MolecularWeight: 388.412683

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4)C=C(C=C2)F

InChI

InChI=1S/C19H17FN2O4S/c20-12-2-4-17-13(8-12)14(5-6-27-17)22-18(23)9-21-19(24)11-1-3-15-16(7-11)26-10-25-15/h1-4,7-8,14H,5-6,9-10H2,(H,21,24)(H,22,23)/t14-/m0/s1