N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C18H17ClN2O5S/c19-15-8-12(9-16-18(15)26-7-1-6-25-16)10-20-17(22)11-27-14-4-2-13(3-5-14)21(23)24/h2-5,8-9H,1,6-7,10-11H2,(H,20,22)