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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C(=O)N)SC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C12H15NO3S/c1-8(12(13)14)17-9-3-4-10-11(7-9)16-6-2-5-15-10/h3-4,7-8H,2,5-6H2,1H3,(H2,13,14)