[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (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 [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (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 [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-11-4-5-17(26-3)15(6-11)22-9-13(7-18(22)24)19(25)27-10-16(23)14(8-20)12(2)21/h4-6,13-14,21H,7,9-10H2,1-3H3/t13-,14+/m0/s1