(4-bromanyl-2-fluoranyl-phenyl) 1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl) 1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl) 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate CAS Name: 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid (4-bromo-2-fluorophenyl) ester IUPAC Name: (4-bromo-2-fluorophenyl) 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Traditional Name: 1-keto-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid (4-bromo-2-fluoro-phenyl) ester Formula: C17H11BrFNO3S MolecularWeight: 408.241543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(N(C1=O)C3=CC=CC=C3S2)C(=O)OC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CC2(N(C1=O)C3=CC=CC=C3S2)C(=O)OC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C17H11BrFNO3S/c18-10-5-6-13(11(19)9-10)23-16(22)17-8-7-15(21)20(17)12-3-1-2-4-14(12)24-17/h1-6,9H,7-8H2