(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(phenylthio)ethyl]-2-propenamide IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(phenylthio)ethyl]acrylamide Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)NCCSC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)NCCSC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5S/c21-18(19-8-9-26-14-4-2-1-3-5-14)7-6-13-10-16-17(25-12-24-16)11-15(13)20(22)23/h1-7,10-11H,8-9,12H2,(H,19,21)/b7-6+