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

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]prop-2-enamide Openeye Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-(2-thienylmethylsulfanyl)ethyl]prop-2-enamide CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-(thiophen-2-ylmethylthio)ethyl]-2-propenamide IUPAC Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]prop-2-enamide Traditional Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-(2-thenylthio)ethyl]acrylamide Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=CC(=O)NCCSCC3=CC=CS3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)NCCSCC3=CC=CS3)OCO1

InChI

InChI=1S/C18H18N2O5S2/c21-17(19-5-7-26-11-16-2-1-6-27-16)4-3-13-8-15(20(22)23)9-14-10-24-12-25-18(13)14/h1-4,6,8-9H,5,7,10-12H2,(H,19,21)/b4-3+