dimethyl 5-cyano-4-(3-nitrophenyl)-6-piperidin-1-yl-4H-thiopyran-2,3-dicarboxylate

Systemtic Name: dimethyl 5-cyano-4-(3-nitrophenyl)-6-piperidin-1-yl-4H-thiopyran-2,3-dicarboxylate Openeye Name: dimethyl 5-cyano-4-(3-nitrophenyl)-6-(1-piperidyl)-4H-thiopyran-2,3-dicarboxylate CAS Name: 5-cyano-4-(3-nitrophenyl)-6-(1-piperidinyl)-4H-thiopyran-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-cyano-4-(3-nitrophenyl)-6-piperidin-1-yl-4H-thiopyran-2,3-dicarboxylate Traditional Name: 5-cyano-4-(3-nitrophenyl)-6-piperidino-4H-thiopyran-2,3-dicarboxylic acid dimethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)N3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C21H21N3O6S/c1-29-20(25)17-16(13-7-6-8-14(11-13)24(27)28)15(12-22)19(23-9-4-3-5-10-23)31-18(17)21(26)30-2/h6-8,11,16H,3-5,9-10H2,1-2H3