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

Systemtic Name: 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(4-bromo-2-fluoro-phenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid IUPAC Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid Traditional Name: 2-[4-(4-bromo-2-fluoro-benzyl)-3-keto-1,4-benzothiazin-2-yl]acetic acid Formula: C17H13BrFNO3S MolecularWeight: 410.257423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(S2)CC(=O)O)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(S2)CC(=O)O)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H13BrFNO3S/c18-11-6-5-10(12(19)7-11)9-20-13-3-1-2-4-14(13)24-15(17(20)23)8-16(21)22/h1-7,15H,8-9H2,(H,21,22)