2-[[(5S)-2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(5S)-2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[(5S)-2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(5S)-2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(5S)-2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[(5S)-2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl]isoindoline-1,3-quinone Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N=C4OC(CS4)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1[C@@H](OC(=NC23CC4CC(C2)CC(C4)C3)S1)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C22H24N2O3S/c25-19-17-3-1-2-4-18(17)20(26)24(19)11-16-12-28-21(27-16)23-22-8-13-5-14(9-22)7-15(6-13)10-22/h1-4,13-16H,5-12H2/t13?,14?,15?,16-,22?/m0/s1