[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (3S)-1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (3S)-1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (3S)-1-(5-chloro-2,4-dimethoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(5-chloro-2,4-dimethoxy-phenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H20ClN3O6 MolecularWeight: 409.8209

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)OCC(=O)NCCC#N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1N2C[C@H](CC2=O)C(=O)OCC(=O)NCCC#N)Cl)OC

InChI

InChI=1S/C18H20ClN3O6/c1-26-14-8-15(27-2)13(7-12(14)19)22-9-11(6-17(22)24)18(25)28-10-16(23)21-5-3-4-20/h7-8,11H,3,5-6,9-10H2,1-2H3,(H,21,23)/t11-/m0/s1