[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=C(C=C4)SCC(=O)N5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=C(C=C4)SCC(=O)N5

InChI

InChI=1S/C22H25NO4S/c1-12(20(25)22-8-13-4-14(9-22)6-15(5-13)10-22)27-21(26)16-2-3-18-17(7-16)23-19(24)11-28-18/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,23,24)