[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H20N2O7S MolecularWeight: 408.4256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=CS2)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=CS2)OC

InChI

InChI=1S/C18H20N2O7S/c1-3-26-16-10-14(20(23)24)13(9-15(16)25-2)18(22)27-11-17(21)19-7-6-12-5-4-8-28-12/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,19,21)