O1-methyl O3-[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester O1-methyl ester Formula: C18H17N3O8S MolecularWeight: 435.40788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCCC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C18H17N3O8S/c1-28-16(23)11-7-12(9-13(8-11)21(26)27)17(24)29-10-15(22)20-18(25)19-5-4-14-3-2-6-30-14/h2-3,6-9H,4-5,10H2,1H3,(H2,19,20,22,25)