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

Systemtic Name: dimethyl 5-cyano-4-phenyl-6-pyrrolidin-1-yl-3,4-dihydrothiopyran-2,2-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(=C(S1)N2CCCC2)C#N)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC(C(=C(S1)N2CCCC2)C#N)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-25-18(23)20(19(24)26-2)12-15(14-8-4-3-5-9-14)16(13-21)17(27-20)22-10-6-7-11-22/h3-5,8-9,15H,6-7,10-12H2,1-2H3