diethyl 5-cyano-4-phenyl-6-pyrrolidin-1-yl-3,4-dihydrothiopyran-2,2-dicarboxylate

Systemtic Name: diethyl 5-cyano-4-phenyl-6-pyrrolidin-1-yl-3,4-dihydrothiopyran-2,2-dicarboxylate Openeye Name: diethyl 5-cyano-4-phenyl-6-pyrrolidin-1-yl-3,4-dihydrothiopyran-2,2-dicarboxylate CAS Name: 5-cyano-4-phenyl-6-(1-pyrrolidinyl)-3,4-dihydrothiopyran-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-cyano-4-phenyl-6-pyrrolidin-1-yl-3,4-dihydrothiopyran-2,2-dicarboxylate Traditional Name: 5-cyano-4-phenyl-6-pyrrolidino-3,4-dihydrothiopyran-2,2-dicarboxylic acid diethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(C(=C(S1)N2CCCC2)C#N)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC(C(=C(S1)N2CCCC2)C#N)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H26N2O4S/c1-3-27-20(25)22(21(26)28-4-2)14-17(16-10-6-5-7-11-16)18(15-23)19(29-22)24-12-8-9-13-24/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3