[2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25NO4S/c1-12-20(25)23-17-7-16(2-3-18(17)28-12)21(26)27-11-19(24)22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,23,25)/t12-,13?,14?,15?,22?/m0/s1