3-(1,3-benzodioxol-5-yl)-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(6-fluorothiochroman-4-yl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(6-fluorothiochroman-4-yl)propionamide Formula: C19H18FNO3S MolecularWeight: 359.414523

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCC3=CC4=C(C=C3)OCO4)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)CCC3=CC4=C(C=C3)OCO4)C=C(C=C2)F

InChI

InChI=1S/C19H18FNO3S/c20-13-3-5-18-14(10-13)15(7-8-25-18)21-19(22)6-2-12-1-4-16-17(9-12)24-11-23-16/h1,3-5,9-10,15H,2,6-8,11H2,(H,21,22)