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

Systemtic Name: ethyl (2S,3S)-3-methyl-3-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]oxirane-2-carboxylate Openeye Name: ethyl (2S,3S)-3-methyl-3-[4-(1-oxoisoindolin-2-yl)phenyl]oxirane-2-carboxylate CAS Name: (2S,3S)-3-methyl-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-methyl-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]oxirane-2-carboxylate Traditional Name: (2S,3S)-3-[4-(1-ketoisoindolin-2-yl)phenyl]-3-methyl-oxirane-2-carboxylic acid ethyl ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)(C)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4/c1-3-24-19(23)17-20(2,25-17)14-8-10-15(11-9-14)21-12-13-6-4-5-7-16(13)18(21)22/h4-11,17H,3,12H2,1-2H3/t17-,20+/m1/s1