(2-chloranyl-6-fluoranyl-phenyl)methyl 2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-methyl-4H-1,4-benzothiazine-6-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C17H13ClFNO3S MolecularWeight: 365.806423

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H13ClFNO3S/c1-9-16(21)20-14-7-10(5-6-15(14)24-9)17(22)23-8-11-12(18)3-2-4-13(11)19/h2-7,9H,8H2,1H3,(H,20,21)