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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl (2S)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)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-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl (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-phthalimidoethyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H16N2O5S/c1-11-17(23)21-15-10-12(6-7-16(15)28-11)20(26)27-9-8-22-18(24)13-4-2-3-5-14(13)19(22)25/h2-7,10-11H,8-9H2,1H3,(H,21,23)/t11-/m0/s1