(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 1-(3-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(3-fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(3-fluorophenyl)cyclopentanecarboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H22FNO3S MolecularWeight: 447.521183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC(=CC=C2)F)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CCC(C1)(C2=CC(=CC=C2)F)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C26H22FNO3S/c27-19-9-7-8-18(16-19)26(14-5-6-15-26)25(30)31-17-24(29)28-20-10-1-3-12-22(20)32-23-13-4-2-11-21(23)28/h1-4,7-13,16H,5-6,14-15,17H2