[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C20H20ClN3O4/c1-11-7-15(20(26)28-10-18(25)16(9-22)12(2)23)13(3)24(11)17-8-14(21)5-6-19(17)27-4/h5-8,16,23H,10H2,1-4H3/t16-/m1/s1