ethyl 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-methyl-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-methyl-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate Openeye Name: ethyl 2-[4-[(4-bromo-2-fluoro-phenyl)methyl]-5-methyl-3-oxo-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-3-oxo-1,4-benzothiazin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-3-oxo-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[4-(4-bromo-2-fluoro-benzyl)-3-keto-5-methyl-1,4-benzothiazin-2-yl]acetic acid ethyl ester Formula: C20H19BrFNO3S MolecularWeight: 452.337163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(C2=C(C=CC=C2S1)C)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCOC(=O)CC1C(=O)N(C2=C(C=CC=C2S1)C)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H19BrFNO3S/c1-3-26-18(24)10-17-20(25)23(11-13-7-8-14(21)9-15(13)22)19-12(2)5-4-6-16(19)27-17/h4-9,17H,3,10-11H2,1-2H3