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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamine Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamine CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanamine IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamine Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethylamine Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCCN)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCCN)OC1

InChI

InChI=1S/C11H15NO2S/c12-4-7-15-9-2-3-10-11(8-9)14-6-1-5-13-10/h2-3,8H,1,4-7,12H2