(2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-cyanobenzoate

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-cyanobenzoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H17N3O2S/c21-13-14-4-6-15(7-5-14)19(24)25-16-8-9-17-18(12-16)26-20(22-17)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2