tert-butyl 4-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-3-keto-2-methyl-4H-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N3O4S/c1-12-16(23)20-14-11-13(5-6-15(14)27-12)17(24)21-7-9-22(10-8-21)18(25)26-19(2,3)4/h5-6,11-12H,7-10H2,1-4H3,(H,20,23)/t12-/m0/s1