(E)-3-(5-nitrofuran-2-yl)-N-[2-(phenylmethylsulfanyl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(5-nitrofuran-2-yl)-N-[2-(phenylmethylsulfanyl)ethyl]prop-2-enamide Openeye Name: (E)-N-(2-benzylsulfanylethyl)-3-(5-nitro-2-furyl)prop-2-enamide CAS Name: (E)-3-(5-nitro-2-furanyl)-N-[2-(phenylmethylthio)ethyl]-2-propenamide IUPAC Name: (E)-N-(2-benzylsulfanylethyl)-3-(5-nitrofuran-2-yl)prop-2-enamide Traditional Name: (E)-N-[2-(benzylthio)ethyl]-3-(5-nitro-2-furyl)acrylamide Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4S/c19-15(8-6-14-7-9-16(22-14)18(20)21)17-10-11-23-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,17,19)/b8-6+