dimethyl 6-(4-nitrophenyl)-4-pyrrolidin-1-yl-4H-thiopyran-2,3-dicarboxylate

Systemtic Name: dimethyl 6-(4-nitrophenyl)-4-pyrrolidin-1-yl-4H-thiopyran-2,3-dicarboxylate Openeye Name: dimethyl 6-(4-nitrophenyl)-4-pyrrolidin-1-yl-4H-thiopyran-2,3-dicarboxylate CAS Name: 6-(4-nitrophenyl)-4-(1-pyrrolidinyl)-4H-thiopyran-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-(4-nitrophenyl)-4-pyrrolidin-1-yl-4H-thiopyran-2,3-dicarboxylate Traditional Name: 6-(4-nitrophenyl)-4-pyrrolidino-4H-thiopyran-2,3-dicarboxylic acid dimethyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=CC1N2CCCC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=CC1N2CCCC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H20N2O6S/c1-26-18(22)16-14(20-9-3-4-10-20)11-15(28-17(16)19(23)27-2)12-5-7-13(8-6-12)21(24)25/h5-8,11,14H,3-4,9-10H2,1-2H3