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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)CNCCC3=CC=CS3

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)CNCCC3=CC=CS3

InChI

InChI=1S/C16H19NO2S/c1-4-13(12-17-8-7-14-5-2-11-20-14)16-15(6-1)18-9-3-10-19-16/h1-2,4-6,11,17H,3,7-10,12H2