(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-thiophen-2-yl-methanamine

Systemtic Name: (7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-thiophen-2-yl-methanamine Openeye Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-thienyl)methanamine CAS Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-thiophen-2-ylmethanamine IUPAC Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-thiophen-2-ylmethanamine Traditional Name: [(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-thienyl)methyl]amine Formula: C14H14BrNO2S MolecularWeight: 340.23546

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(C3=CC=CS3)N)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(C3=CC=CS3)N)Br)OC1

InChI

InChI=1S/C14H14BrNO2S/c15-10-8-12-11(17-4-2-5-18-12)7-9(10)14(16)13-3-1-6-19-13/h1,3,6-8,14H,2,4-5,16H2