(5-bromanylthiophen-2-yl)-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone

Systemtic Name: (5-bromanylthiophen-2-yl)-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone Openeye Name: (5-bromo-2-thienyl)-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone CAS Name: (5-bromo-2-thiophenyl)-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone IUPAC Name: (5-bromothiophen-2-yl)-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone Traditional Name: (5-bromo-2-thienyl)-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone Formula: C14H10BrClO3S MolecularWeight: 373.6494

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)C3=CC=C(S3)Br)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)C3=CC=C(S3)Br)Cl)OC1

InChI

InChI=1S/C14H10BrClO3S/c15-13-3-2-12(20-13)14(17)8-6-10-11(7-9(8)16)19-5-1-4-18-10/h2-3,6-7H,1,4-5H2