[2-oxidanylidene-2-[[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]amino]ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-oxidanylidene-2-[[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]amino]ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-keto-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C24H16F3N3O3S2 MolecularWeight: 515.52735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)NC4=NC5=C(S4)C=C(C(=C5F)F)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)NC4=NC5=C(S4)C=C(C(=C5F)F)F

InChI

InChI=1S/C24H16F3N3O3S2/c25-13-11-18-23(22(27)21(13)26)29-24(35-18)28-19(31)12-33-20(32)9-10-30-14-5-1-3-7-16(14)34-17-8-4-2-6-15(17)30/h1-8,11H,9-10,12H2,(H,28,29,31)