(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O3S2/c25-20(24-12-4-1-5-13-24)14-27-21(26)17-10-8-16(9-11-17)15-28-22-23-18-6-2-3-7-19(18)29-22/h2-3,6-11H,1,4-5,12-15H2