2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-7-methyl-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-7-methyl-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(4-bromo-2-fluoro-phenyl)methyl]-7-methyl-3-oxo-1,4-benzothiazin-2-yl]acetic acid CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-7-methyl-3-oxo-1,4-benzothiazin-2-yl]acetic acid IUPAC Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-7-methyl-3-oxo-1,4-benzothiazin-2-yl]acetic acid Traditional Name: 2-[4-(4-bromo-2-fluoro-benzyl)-3-keto-7-methyl-1,4-benzothiazin-2-yl]acetic acid Formula: C18H15BrFNO3S MolecularWeight: 424.284003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(S2)CC(=O)O)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(S2)CC(=O)O)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H15BrFNO3S/c1-10-2-5-14-15(6-10)25-16(8-17(22)23)18(24)21(14)9-11-3-4-12(19)7-13(11)20/h2-7,16H,8-9H2,1H3,(H,22,23)