[(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [(1S)-2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [(1S)-2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C22H20N2O5S/c1-12(21(27)15-3-5-18-14(9-15)7-8-24(18)13(2)25)29-22(28)16-4-6-19-17(10-16)23-20(26)11-30-19/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,26)/t12-/m0/s1