4,5-bis(bromanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide

Systemtic Name: 4,5-bis(bromanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide Openeye Name: 4,5-dibromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide CAS Name: 4,5-dibromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiophenecarboxamide IUPAC Name: 4,5-dibromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide Traditional Name: 4,5-dibromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxamide Formula: C14H11Br2NO3S MolecularWeight: 433.11504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11Br2NO3S/c15-9-7-12(21-13(9)16)14(18)17-8-2-3-10-11(6-8)20-5-1-4-19-10/h2-3,6-7H,1,4-5H2,(H,17,18)