2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanamine

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanamine Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanamine CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]ethanamine IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanamine Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]ethylamine Formula: C12H16ClNO2S MolecularWeight: 273.77894

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSCCN)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSCCN)Cl)OC1

InChI

InChI=1S/C12H16ClNO2S/c13-10-6-9(8-17-5-2-14)7-11-12(10)16-4-1-3-15-11/h6-7H,1-5,8,14H2