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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 1-(4-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-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=C(C=C2)F)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

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

InChI

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