N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-3-fluoranyl-phenyl]ethanamide

Systemtic Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-3-fluoranyl-phenyl]ethanamide Openeye Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-3-fluoro-phenyl]acetamide CAS Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-3-fluorophenyl]acetamide IUPAC Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-3-fluorophenyl]acetamide Traditional Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-3-fluoro-phenyl]acetamide Formula: C19H18FNO4S MolecularWeight: 375.413923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCCO3)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCCO3)F

InChI

InChI=1S/C19H18FNO4S/c1-12(22)21-13-3-5-15(16(20)9-13)17(23)11-26-14-4-6-18-19(10-14)25-8-2-7-24-18/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,22)