[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] (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-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] (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-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H16N2O7S MolecularWeight: 404.39384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC(=O)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC(=O)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O7S/c21-17(19-6-5-13-2-1-7-28-13)10-25-18(22)4-3-12-8-15-16(27-11-26-15)9-14(12)20(23)24/h1-4,7-9H,5-6,10-11H2,(H,19,21)/b4-3+