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

Systemtic Name: dimethyl 2-(4-cyano-3-phenyl-5-pyrrolidin-1-yl-2,3-dihydrothiophen-1-ylidene)propanedioate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=S1CC(C(=C1N2CCCC2)C#N)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(=S1CC(C(=C1N2CCCC2)C#N)C3=CC=CC=C3)C(=O)OC

InChI

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