N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-nitrophenyl)thio]acetamide Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c20-17(11-25-14-5-3-13(4-6-14)19(21)22)18-12-2-7-15-16(10-12)24-9-1-8-23-15/h2-7,10H,1,8-9,11H2,(H,18,20)