2-(4H-1,2,3-benzothiadiazin-7-yl)adamantane-1-carboxylic acid

Systemtic Name: 2-(4H-1,2,3-benzothiadiazin-7-yl)adamantane-1-carboxylic acid Openeye Name: 2-(4H-1,2,3-benzothiadiazin-7-yl)adamantane-1-carboxylic acid CAS Name: 2-(4H-1,2,3-benzothiadiazin-7-yl)-1-adamantanecarboxylic acid IUPAC Name: 2-(4H-1,2,3-benzothiadiazin-7-yl)adamantane-1-carboxylic acid Traditional Name: 2-(4H-1,2,3-benzothiadiazin-7-yl)adamantane-1-carboxylic acid Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3C4=CC5=C(CN=NS5)C=C4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3C4=CC5=C(CN=NS5)C=C4)C(=O)O

InChI

InChI=1S/C18H20N2O2S/c21-17(22)18-7-10-3-11(8-18)5-14(4-10)16(18)12-1-2-13-9-19-20-23-15(13)6-12/h1-2,6,10-11,14,16H,3-5,7-9H2,(H,21,22)