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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)ethanamine Openeye Name: 1-(5-chloro-2-thienyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)ethanamine CAS Name: 1-(5-chloro-2-thiophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)ethanamine IUPAC Name: 1-(5-chlorothiophen-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)ethanamine Traditional Name: 1-(5-chloro-2-thienyl)ethyl-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)amine Formula: C16H18ClNO2S MolecularWeight: 323.83762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(S1)Cl)NCC2=C3C(=CC=C2)OCCCO3

Isomeric SMILES

CC(C1=CC=C(S1)Cl)NCC2=C3C(=CC=C2)OCCCO3

InChI

InChI=1S/C16H18ClNO2S/c1-11(14-6-7-15(17)21-14)18-10-12-4-2-5-13-16(12)20-9-3-8-19-13/h2,4-7,11,18H,3,8-10H2,1H3