[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (3S)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (3S)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NCC#C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NCC#C)OC

InChI

InChI=1S/C18H20N2O6/c1-4-7-19-16(21)11-26-18(23)12-8-17(22)20(10-12)14-6-5-13(24-2)9-15(14)25-3/h1,5-6,9,12H,7-8,10-11H2,2-3H3,(H,19,21)/t12-/m0/s1