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

Systemtic Name: dimethyl 5-cyano-6-pyrrolidin-1-yl-3,4-dihydrothiopyran-2,2-dicarboxylate Openeye Name: dimethyl 5-cyano-6-pyrrolidin-1-yl-3,4-dihydrothiopyran-2,2-dicarboxylate CAS Name: 5-cyano-6-(1-pyrrolidinyl)-3,4-dihydrothiopyran-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-cyano-6-pyrrolidin-1-yl-3,4-dihydrothiopyran-2,2-dicarboxylate Traditional Name: 5-cyano-6-pyrrolidino-3,4-dihydrothiopyran-2,2-dicarboxylic acid dimethyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-19-12(17)14(13(18)20-2)6-5-10(9-15)11(21-14)16-7-3-4-8-16/h3-8H2,1-2H3