(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(2-methoxy-4-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(2-methoxy-4-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-(2-methoxy-4-nitro-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-methoxy-4-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(2-methoxy-4-nitro-phenyl)isoindoline-5-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C22H14N2O8S MolecularWeight: 466.42016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H14N2O8S/c1-31-18-10-13(24(29)30)5-7-16(18)23-20(26)14-6-4-12(9-15(14)21(23)27)22(28)32-11-17(25)19-3-2-8-33-19/h2-10H,11H2,1H3