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

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-chloranyladamantane-1-carboxylate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-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-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O3S/c23-22-9-13-5-14(10-22)8-21(7-13,12-22)19(27)28-11-15-6-18(26)25-16-3-1-2-4-17(16)29-20(25)24-15/h1-4,6,13-14H,5,7-12H2