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

Systemtic Name: [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [(1S)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-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-keto-1-methyl-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)OC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C21H20N2O4S/c1-12-9-14-5-3-4-6-17(14)23(12)20(25)13(2)27-21(26)15-7-8-18-16(10-15)22-19(24)11-28-18/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,24)/t12-,13-/m0/s1