2-(2-fluorophenyl)sulfanylethyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C18H14FNO6S MolecularWeight: 391.370263

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCCSC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCCSC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C18H14FNO6S/c19-13-3-1-2-4-17(13)27-8-7-24-18(21)6-5-12-9-15-16(26-11-25-15)10-14(12)20(22)23/h1-6,9-10H,7-8,11H2/b6-5+