N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c20-17(11-25-14-7-5-12(6-8-14)19(21)22)18-9-13-10-23-15-3-1-2-4-16(15)24-13/h1-8,13H,9-11H2,(H,18,20)/t13-/m1/s1