N-[1,1-bis(oxidanylidene)thiolan-3-yl]-8-bromanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-8-bromanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: 8-bromo-N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: 8-bromo-N-(1,1-dioxo-3-thiolanyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: 8-bromo-N-(1,1-dioxothiolan-3-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-(1,1-diketothiolan-3-yl)amine Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C=C(C=C2)Br)OC1)NC3CCS(=O)(=O)C3

Isomeric SMILES

C1CC(C2=C(C=C(C=C2)Br)OC1)NC3CCS(=O)(=O)C3

InChI

InChI=1S/C14H18BrNO3S/c15-10-3-4-12-13(2-1-6-19-14(12)8-10)16-11-5-7-20(17,18)9-11/h3-4,8,11,13,16H,1-2,5-7,9H2