2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4,5-dimethoxy-isoindole-1,3-dione

Systemtic Name: 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4,5-dimethoxy-isoindole-1,3-dione Openeye Name: 2-[4-(1-adamantyl)thiazol-2-yl]-4,5-dimethoxy-isoindoline-1,3-dione CAS Name: 2-[4-(1-adamantyl)-2-thiazolyl]-4,5-dimethoxyisoindole-1,3-dione IUPAC Name: 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4,5-dimethoxyisoindole-1,3-dione Traditional Name: 2-[4-(1-adamantyl)thiazol-2-yl]-4,5-dimethoxy-isoindoline-1,3-quinone Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C23H24N2O4S/c1-28-16-4-3-15-18(19(16)29-2)21(27)25(20(15)26)22-24-17(11-30-22)23-8-12-5-13(9-23)7-14(6-12)10-23/h3-4,11-14H,5-10H2,1-2H3