N-(thiolan-3-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-(thiolan-3-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-tetrahydrothiophen-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-(3-thiolanyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-(thiolan-3-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(tetrahydrothiophen-3-yl)amine Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3CCSC3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3CCSC3)OC1

InChI

InChI=1S/C13H17NO2S/c1-5-15-12-3-2-10(8-13(12)16-6-1)14-11-4-7-17-9-11/h2-3,8,11,14H,1,4-7,9H2