[2-oxidanylidene-2-(3-oxidanylidenespiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidenespiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(3-oxo-1-spiro[4H-quinoxaline-2,1'-cyclopentane]yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(3-ketospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C24CCCC4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C24CCCC4

InChI

InChI=1S/C21H21N3O4S/c1-29-18-14(7-6-12-22-18)19(26)28-13-17(25)24-16-9-3-2-8-15(16)23-20(27)21(24)10-4-5-11-21/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,23,27)