3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)azepan-2-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)azepan-2-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)azepan-2-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2-azepanone IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)azepan-2-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylthio)azepan-2-one Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H17NO3S/c16-14-13(3-1-2-6-15-14)19-10-4-5-11-12(9-10)18-8-7-17-11/h4-5,9,13H,1-3,6-8H2,(H,15,16)