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

Systemtic Name: (4-phenylmethoxyphenyl) 1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Openeye Name: (4-benzyloxyphenyl) 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-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 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-benzoxyphenyl) ester Formula: C24H19NO4S MolecularWeight: 417.47696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(N(C1=O)C3=CC=CC=C3S2)C(=O)OC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CC2(N(C1=O)C3=CC=CC=C3S2)C(=O)OC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C24H19NO4S/c26-22-14-15-24(25(22)20-8-4-5-9-21(20)30-24)23(27)29-19-12-10-18(11-13-19)28-16-17-6-2-1-3-7-17/h1-13H,14-16H2