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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SCC3=CC(=CC=C3)F

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C18H18FNO3S/c1-12(24-11-13-3-2-4-14(19)9-13)18(21)20-15-5-6-16-17(10-15)23-8-7-22-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,20,21)