[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxo-ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-keto-ethyl] ester Formula: C18H14BrFN2O3S MolecularWeight: 437.282763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)COC(=O)C3=C(C=CC(=C3)F)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)COC(=O)C3=C(C=CC(=C3)F)Br

InChI

InChI=1S/C18H14BrFN2O3S/c19-13-6-5-11(20)9-12(13)18(24)25-10-16(23)21-8-7-17-22-14-3-1-2-4-15(14)26-17/h1-6,9H,7-8,10H2,(H,21,23)