ethyl 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-methyl-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-methyl-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate Openeye Name: ethyl 2-[4-[(4-bromo-2-fluoro-phenyl)methyl]-6-methyl-3-oxo-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-3-oxo-1,4-benzothiazin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-3-oxo-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[4-(4-bromo-2-fluoro-benzyl)-3-keto-6-methyl-1,4-benzothiazin-2-yl]acetic acid ethyl ester Formula: C20H19BrFNO3S MolecularWeight: 452.337163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(C2=C(S1)C=CC(=C2)C)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCOC(=O)CC1C(=O)N(C2=C(S1)C=CC(=C2)C)CC3=C(C=C(C=C3)Br)F

InChI

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