tert-butyl (5S,6S)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-7-oxidanylidene-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: tert-butyl (5S,6S)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-7-oxidanylidene-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: tert-butyl (5S,6S)-6-(1,3-dioxoisoindolin-2-yl)-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5S,6S)-6-(1,3-dioxo-2-isoindolyl)-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5S,6S)-6-(1,3-dioxoisoindol-2-yl)-3-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5S,6S)-7-keto-3-methyl-6-phthalimido-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid tert-butyl ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(O1)C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N2[C@@H](O1)[C@@H](C2=O)N3C(=O)C4=CC=CC=C4C3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H18N2O6/c1-9-12(18(25)27-19(2,3)4)21-16(24)13(17(21)26-9)20-14(22)10-7-5-6-8-11(10)15(20)23/h5-8,13,17H,1-4H3/t13-,17+/m1/s1