[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxy-5-methylphenyl)-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-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C[C@H](CC2=O)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C18H20N2O5/c1-4-7-19-16(21)11-25-18(23)13-9-17(22)20(10-13)14-8-12(2)5-6-15(14)24-3/h1,5-6,8,13H,7,9-11H2,2-3H3,(H,19,21)/t13-/m0/s1