ethyl (2S,3S)-2-cyano-3-methyl-3-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]oxirane-2-carboxylate

Systemtic Name: ethyl (2S,3S)-2-cyano-3-methyl-3-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]oxirane-2-carboxylate Openeye Name: ethyl (2S,3S)-2-cyano-3-methyl-3-[4-(1-oxoisoindolin-2-yl)phenyl]oxirane-2-carboxylate CAS Name: (2S,3S)-2-cyano-3-methyl-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2-cyano-3-methyl-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]oxirane-2-carboxylate Traditional Name: (2S,3S)-2-cyano-3-[4-(1-ketoisoindolin-2-yl)phenyl]-3-methyl-oxirane-2-carboxylic acid ethyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(O1)(C)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O)C#N

Isomeric SMILES

CCOC(=O)[C@@]1([C@](O1)(C)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C21H18N2O4/c1-3-26-19(25)21(13-22)20(2,27-21)15-8-10-16(11-9-15)23-12-14-6-4-5-7-17(14)18(23)24/h4-11H,3,12H2,1-2H3/t20-,21+/m0/s1