(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H23FN2O4S MolecularWeight: 490.545923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H23FN2O4S/c28-20-11-9-18(10-12-20)26(32)29-15-13-19(14-16-29)27(33)34-17-25(31)30-21-5-1-3-7-23(21)35-24-8-4-2-6-22(24)30/h1-12,19H,13-17H2