1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1-thiophen-2-ylethyl)ethanamine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1-thiophen-2-ylethyl)ethanamine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-(2-thienyl)ethyl]ethanamine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1-thiophen-2-ylethyl)ethanamine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1-thiophen-2-ylethyl)ethanamine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl-[1-(2-thienyl)ethyl]amine Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(C)C3=CC=CS3

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(C)C3=CC=CS3

InChI

InChI=1S/C17H21NO2S/c1-12(18-13(2)17-5-3-10-21-17)14-6-7-15-16(11-14)20-9-4-8-19-15/h3,5-7,10-13,18H,4,8-9H2,1-2H3