N-[(4-bromanylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-[(4-bromanylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-[(4-bromo-2-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[(4-bromo-2-thiophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: (4-bromo-2-thienyl)methyl-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)amine Formula: C14H14BrNO2S MolecularWeight: 340.23546

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NCC3=CC(=CS3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NCC3=CC(=CS3)Br)OC1

InChI

InChI=1S/C14H14BrNO2S/c15-10-6-12(19-9-10)8-16-11-2-3-13-14(7-11)18-5-1-4-17-13/h2-3,6-7,9,16H,1,4-5,8H2