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

Systemtic Name: [2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 3-phenylfuran-2-carboxylate Openeye Name: [2-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 3-phenylfuran-2-carboxylate CAS Name: 3-phenyl-2-furancarboxylic acid [2-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] 3-phenylfuran-2-carboxylate Traditional Name: 3-phenylfuran-2-carboxylic acid [2-[3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=C(C=CO2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)C(=O)COC(=O)C2=C(C=CO2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N2O4S/c28-22(16-31-25(29)23-19(12-14-30-23)17-7-2-1-3-8-17)27-13-6-9-18(15-27)24-26-20-10-4-5-11-21(20)32-24/h1-5,7-8,10-12,14,18H,6,9,13,15-16H2