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

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 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 (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 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 (1-phenylpyrazol-4-yl)methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(N(C1=O)C3=CC=CC=C3S2)C(=O)OCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2(N(C1=O)C3=CC=CC=C3S2)C(=O)OCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H17N3O3S/c25-19-10-11-21(24(19)17-8-4-5-9-18(17)28-21)20(26)27-14-15-12-22-23(13-15)16-6-2-1-3-7-16/h1-9,12-13H,10-11,14H2