(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-oxidanyladamantane-1-carboxylate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester IUPAC Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CC(=O)N5C6=CC=CC=C6SC5=N4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CC(=O)N5C6=CC=CC=C6SC5=N4

InChI

InChI=1S/C22H22N2O4S/c25-18-6-15(23-20-24(18)16-3-1-2-4-17(16)29-20)11-28-19(26)21-7-13-5-14(8-21)10-22(27,9-13)12-21/h1-4,6,13-14,27H,5,7-12H2