[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C23H18ClFN2O3S MolecularWeight: 456.917023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)F

InChI

InChI=1S/C23H18ClFN2O3S/c24-15-9-10-17(16(25)13-15)26-22(28)14-30-23(29)11-12-27-18-5-1-3-7-20(18)31-21-8-4-2-6-19(21)27/h1-10,13H,11-12,14H2,(H,26,28)