[(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [(3S)-4-amino-3-cyano-2-oxo-pent-4-enyl] (3S)-1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid [(3S)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5/c1-11(20)13(8-19)15(22)10-26-18(24)12-7-17(23)21(9-12)14-5-3-4-6-16(14)25-2/h3-6,12-13H,1,7,9-10,20H2,2H3/t12-,13+/m0/s1