(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-(phenylmethylsulfanyl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-(phenylmethylsulfanyl)ethyl]prop-2-enamide Openeye Name: (E)-N-(2-benzylsulfanylethyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-(phenylmethylthio)ethyl]-2-propenamide IUPAC Name: (E)-N-(2-benzylsulfanylethyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-[2-(benzylthio)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=CC(=O)NCCSCC3=CC=CC=C3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)NCCSCC3=CC=CC=C3)OCO1

InChI

InChI=1S/C20H20N2O5S/c23-19(21-8-9-28-13-15-4-2-1-3-5-15)7-6-16-10-18(22(24)25)11-17-12-26-14-27-20(16)17/h1-7,10-11H,8-9,12-14H2,(H,21,23)/b7-6+