(4-nitrophenyl) 1,1-bis(oxidanylidene)-4-pyrrolidin-1-yl-2H-thiochromene-3-carboxylate

Systemtic Name: (4-nitrophenyl) 1,1-bis(oxidanylidene)-4-pyrrolidin-1-yl-2H-thiochromene-3-carboxylate Openeye Name: (4-nitrophenyl) 1,1-dioxo-4-pyrrolidin-1-yl-2H-thiochromene-3-carboxylate CAS Name: 1,1-dioxo-4-(1-pyrrolidinyl)-2H-1-benzothiopyran-3-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 1,1-dioxo-4-pyrrolidin-1-yl-2H-thiochromene-3-carboxylate Traditional Name: 1,1-diketo-4-pyrrolidino-2H-thiochromene-3-carboxylic acid (4-nitrophenyl) ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(CS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(CS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6S/c23-20(28-15-9-7-14(8-10-15)22(24)25)17-13-29(26,27)18-6-2-1-5-16(18)19(17)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2