1-[[2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-(3-nitrophenyl)-1-imidazo[2,1-b][1,3]benzothiazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]isonipecotic acid Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=C(N=C3N2C4=CC=CC=C4S3)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=C(N=C3N2C4=CC=CC=C4S3)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4S/c27-21(28)14-8-10-24(11-9-14)13-18-20(15-4-3-5-16(12-15)26(29)30)23-22-25(18)17-6-1-2-7-19(17)31-22/h1-7,12,14H,8-11,13H2,(H,27,28)