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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (3S)-1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)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-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (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-keto-2-(propargylamino)ethyl] ester Formula: C18H19ClN2O6 MolecularWeight: 394.80626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O6/c1-4-5-20-16(22)10-27-18(24)11-6-17(23)21(9-11)13-7-12(19)14(25-2)8-15(13)26-3/h1,7-8,11H,5-6,9-10H2,2-3H3,(H,20,22)/t11-/m0/s1