diethyl 2-(4-cyano-3-phenyl-5-pyrrolidin-1-yl-2,3-dihydrothiophen-1-ylidene)propanedioate

Systemtic Name: diethyl 2-(4-cyano-3-phenyl-5-pyrrolidin-1-yl-2,3-dihydrothiophen-1-ylidene)propanedioate Openeye Name: diethyl 2-(4-cyano-3-phenyl-5-pyrrolidin-1-yl-2,3-dihydrothiophen-1-ylidene)propanedioate CAS Name: 2-[4-cyano-3-phenyl-5-(1-pyrrolidinyl)-2,3-dihydrothiophen-1-ylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-cyano-3-phenyl-5-pyrrolidin-1-yl-2,3-dihydrothiophen-1-ylidene)propanedioate Traditional Name: 2-(4-cyano-3-phenyl-5-pyrrolidino-2,3-dihydrothiophen-1-ylidene)malonic acid diethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=S1CC(C(=C1N2CCCC2)C#N)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=S1CC(C(=C1N2CCCC2)C#N)C3=CC=CC=C3)C(=O)OCC

InChI

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