N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-nitrothiophen-3-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-nitrothiophen-3-yl)sulfanyl-ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-nitro-3-thienyl)sulfanyl]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-nitro-3-thiophenyl)thio]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-nitrothiophen-3-yl)sulfanylacetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-nitro-3-thienyl)thio]acetamide Formula: C14H11BrN2O5S2 MolecularWeight: 431.28154

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CSC3=C(SC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CSC3=C(SC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11BrN2O5S2/c15-8-5-10-11(22-3-2-21-10)6-9(8)16-13(18)7-24-12-1-4-23-14(12)17(19)20/h1,4-6H,2-3,7H2,(H,16,18)