(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-fluorophenyl)propanamide

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-fluorophenyl)propanamide Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-fluorophenyl)propanamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3-fluorophenyl)propanamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-fluorophenyl)propanamide Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3-fluorophenyl)propionamide Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)F)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)F)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18FNO3S/c1-12(18(21)20-14-5-2-4-13(19)10-14)24-15-6-7-16-17(11-15)23-9-3-8-22-16/h2,4-7,10-12H,3,8-9H2,1H3,(H,20,21)/t12-/m1/s1