(2-piperidin-1-yl-1,3-benzothiazol-6-yl) 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S2/c25-20(19-11-13-10-14(24(26)27)4-7-17(13)29-19)28-15-5-6-16-18(12-15)30-21(22-16)23-8-2-1-3-9-23/h4-7,10-12H,1-3,8-9H2