(3-fluorophenyl)methyl (2S)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (3-fluorophenyl)methyl (2S)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (3-fluorophenyl)methyl (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 (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl (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 (3-fluorobenzyl) ester Formula: C17H14FNO3S MolecularWeight: 331.361363

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CC(=CC=C3)F

Isomeric SMILES

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C17H14FNO3S/c1-10-16(20)19-14-8-12(5-6-15(14)23-10)17(21)22-9-11-3-2-4-13(18)7-11/h2-8,10H,9H2,1H3,(H,19,20)/t10-/m0/s1