(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide Openeye Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-(phenylthio)ethyl]-2-propenamide IUPAC Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide Traditional Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-(phenylthio)ethyl]acrylamide Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=CC(=O)NCCSC3=CC=CC=C3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)NCCSC3=CC=CC=C3)OCO1

InChI

InChI=1S/C19H18N2O5S/c22-18(20-8-9-27-17-4-2-1-3-5-17)7-6-14-10-16(21(23)24)11-15-12-25-13-26-19(14)15/h1-7,10-11H,8-9,12-13H2,(H,20,22)/b7-6+