2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-8-chloranyl-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-8-chloranyl-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(4-bromo-2-fluoro-phenyl)methyl]-8-chloro-3-oxo-1,4-benzothiazin-2-yl]acetic acid CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-8-chloro-3-oxo-1,4-benzothiazin-2-yl]acetic acid IUPAC Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-8-chloro-3-oxo-1,4-benzothiazin-2-yl]acetic acid Traditional Name: 2-[4-(4-bromo-2-fluoro-benzyl)-8-chloro-3-keto-1,4-benzothiazin-2-yl]acetic acid Formula: C17H12BrClFNO3S MolecularWeight: 444.702483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)SC(C(=O)N2CC3=C(C=C(C=C3)Br)F)CC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)SC(C(=O)N2CC3=C(C=C(C=C3)Br)F)CC(=O)O

InChI

InChI=1S/C17H12BrClFNO3S/c18-10-5-4-9(12(20)6-10)8-21-13-3-1-2-11(19)16(13)25-14(17(21)24)7-15(22)23/h1-6,14H,7-8H2,(H,22,23)