(3R)-3-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one

Systemtic Name: (3R)-3-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: (3R)-3-[[4-(1-adamantyl)thiazol-2-yl]amino]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: (3R)-3-[[4-(1-adamantyl)-2-thiazolyl]amino]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: (3R)-3-[[4-(1-adamantyl)thiazol-2-yl]amino]-6,7-dimethoxy-phthalide Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@@H](OC2=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C23H26N2O4S/c1-27-16-4-3-15-18(19(16)28-2)21(26)29-20(15)25-22-24-17(11-30-22)23-8-12-5-13(9-23)7-14(6-12)10-23/h3-4,11-14,20H,5-10H2,1-2H3,(H,24,25)/t12?,13?,14?,20-,23?/m1/s1