N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-thiophen-2-yl-ethanamine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-thiophen-2-yl-ethanamine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-(2-thienyl)ethanamine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-thiophen-2-ylethanamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-thiophen-2-ylethanamine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl-[1-(2-thienyl)ethyl]amine Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NCC2=C3C(=CC=C2)OCCCO3

Isomeric SMILES

CC(C1=CC=CS1)NCC2=C3C(=CC=C2)OCCCO3

InChI

InChI=1S/C16H19NO2S/c1-12(15-7-3-10-20-15)17-11-13-5-2-6-14-16(13)19-9-4-8-18-14/h2-3,5-7,10,12,17H,4,8-9,11H2,1H3