N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5CC6=CC=CC=C6C(=O)O5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5CC6=CC=CC=C6C(=O)O5

InChI

InChI=1S/C23H24N2O3S/c26-20(18-8-16-3-1-2-4-17(16)21(27)28-18)25-22-24-19(12-29-22)23-9-13-5-14(10-23)7-15(6-13)11-23/h1-4,12-15,18H,5-11H2,(H,24,25,26)