N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)methylsulfanyl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)methylsulfanyl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)methylsulfanyl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)methylthio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)methylsulfanyl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorobenzyl)thio]propionamide Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CCSCC3=CC(=CC=C3)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CCSCC3=CC(=CC=C3)F

InChI

InChI=1S/C18H18FNO3S/c19-14-3-1-2-13(10-14)12-24-9-6-18(21)20-15-4-5-16-17(11-15)23-8-7-22-16/h1-5,10-11H,6-9,12H2,(H,20,21)