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

Systemtic Name: 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-7-methoxy-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(4-bromo-2-fluoro-phenyl)methyl]-7-methoxy-3-oxo-1,4-benzothiazin-2-yl]acetic acid CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-7-methoxy-3-oxo-1,4-benzothiazin-2-yl]acetic acid IUPAC Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-7-methoxy-3-oxo-1,4-benzothiazin-2-yl]acetic acid Traditional Name: 2-[4-(4-bromo-2-fluoro-benzyl)-3-keto-7-methoxy-1,4-benzothiazin-2-yl]acetic acid Formula: C18H15BrFNO4S MolecularWeight: 440.283403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)C(S2)CC(=O)O)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)C(S2)CC(=O)O)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H15BrFNO4S/c1-25-12-4-5-14-15(7-12)26-16(8-17(22)23)18(24)21(14)9-10-2-3-11(19)6-13(10)20/h2-7,16H,8-9H2,1H3,(H,22,23)