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

Systemtic Name: (4-iodophenyl) 1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Openeye Name: (4-iodophenyl) 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-iodophenyl) ester IUPAC Name: (4-iodophenyl) 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-iodophenyl) ester Formula: C17H12INO3S MolecularWeight: 437.25155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12INO3S/c18-11-5-7-12(8-6-11)22-16(21)17-10-9-15(20)19(17)13-3-1-2-4-14(13)23-17/h1-8H,9-10H2