[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 1-phenylcyclopropane-1-carboxylate

Systemtic Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 1-phenylcyclopropane-1-carboxylate Openeye Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 1-phenylcyclopropanecarboxylate CAS Name: 1-phenyl-1-cyclopropanecarboxylic acid [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate Traditional Name: 1-phenylcyclopropanecarboxylic acid [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2(CC2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)COC(=O)C2(CC2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N2O3S/c27-21(16-29-23(28)24(12-13-24)18-8-2-1-3-9-18)26-14-6-7-17(15-26)22-25-19-10-4-5-11-20(19)30-22/h1-5,8-11,17H,6-7,12-16H2/t17-/m1/s1