ethyl (2S)-2-[3,4-bis(chloranyl)-5-oxidanylidene-2H-pyrrol-1-yl]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[3,4-bis(chloranyl)-5-oxidanylidene-2H-pyrrol-1-yl]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-3-phenylpropanoate Traditional Name: (2S)-2-(3,4-dichloro-2-keto-3-pyrrolin-1-yl)-3-phenyl-propionic acid ethyl ester Formula: C15H15Cl2NO3 MolecularWeight: 328.1905

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N2CC(=C(C2=O)Cl)Cl

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)N2CC(=C(C2=O)Cl)Cl

InChI

InChI=1S/C15H15Cl2NO3/c1-2-21-15(20)12(8-10-6-4-3-5-7-10)18-9-11(16)13(17)14(18)19/h3-7,12H,2,8-9H2,1H3/t12-/m0/s1