methyl 2-[2-(4-bromophenyl)carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-bromophenyl)carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-bromobenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-bromophenyl)-oxomethyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromobenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-bromobenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H12BrFN2O3S MolecularWeight: 423.256183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)Br)F

Isomeric SMILES

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C17H12BrFN2O3S/c1-24-14(22)9-21-15-12(19)3-2-4-13(15)25-17(21)20-16(23)10-5-7-11(18)8-6-10/h2-8H,9H2,1H3