(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]prop-2-enamide Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(2-thienylmethylsulfanyl)ethyl]prop-2-enamide CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(thiophen-2-ylmethylthio)ethyl]-2-propenamide IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]prop-2-enamide Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(2-thenylthio)ethyl]acrylamide Formula: C17H16N2O5S2 MolecularWeight: 392.44934

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)NCCSCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)NCCSCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S2/c20-17(18-5-7-25-10-13-2-1-6-26-13)4-3-12-8-15-16(24-11-23-15)9-14(12)19(21)22/h1-4,6,8-9H,5,7,10-11H2,(H,18,20)/b4-3+