[2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate

Systemtic Name: [2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate Openeye Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C16H10BrFN2O3S MolecularWeight: 409.229603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C16H10BrFN2O3S/c17-10-4-5-12-13(7-10)24-16(19-12)20-14(21)8-23-15(22)9-2-1-3-11(18)6-9/h1-7H,8H2,(H,19,20,21)