[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C21H21NO4S/c1-3-13(2)14-4-6-15(7-5-14)18(23)11-26-21(25)16-8-9-19-17(10-16)22-20(24)12-27-19/h4-10,13H,3,11-12H2,1-2H3,(H,22,24)/t13-/m0/s1