4-[2-(3-oxidanylidene-3-piperidin-1-yl-propyl)-1,3-benzothiazol-5-yl]benzoic acid

Systemtic Name: 4-[2-(3-oxidanylidene-3-piperidin-1-yl-propyl)-1,3-benzothiazol-5-yl]benzoic acid Openeye Name: 4-[2-[3-oxo-3-(1-piperidyl)propyl]-1,3-benzothiazol-5-yl]benzoic acid CAS Name: 4-[2-[3-oxo-3-(1-piperidinyl)propyl]-1,3-benzothiazol-5-yl]benzoic acid IUPAC Name: 4-[2-(3-oxo-3-piperidin-1-ylpropyl)-1,3-benzothiazol-5-yl]benzoic acid Traditional Name: 4-[2-(3-keto-3-piperidino-propyl)-1,3-benzothiazol-5-yl]benzoic acid Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCC2=NC3=C(S2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)CCC2=NC3=C(S2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H22N2O3S/c25-21(24-12-2-1-3-13-24)11-10-20-23-18-14-17(8-9-19(18)28-20)15-4-6-16(7-5-15)22(26)27/h4-9,14H,1-3,10-13H2,(H,26,27)