(phenylmethyl) (2S)-2-[3,4-bis(chloranyl)-5-oxidanylidene-2H-pyrrol-1-yl]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[3,4-bis(chloranyl)-5-oxidanylidene-2H-pyrrol-1-yl]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-3-methyl-butanoate CAS Name: (2S)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-3-methylbutanoate Traditional Name: (2S)-2-(3,4-dichloro-2-keto-3-pyrrolin-1-yl)-3-methyl-butyric acid benzyl ester Formula: C16H17Cl2NO3 MolecularWeight: 342.21708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)N2CC(=C(C2=O)Cl)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)N2CC(=C(C2=O)Cl)Cl

InChI

InChI=1S/C16H17Cl2NO3/c1-10(2)14(19-8-12(17)13(18)15(19)20)16(21)22-9-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t14-/m0/s1