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

Systemtic Name: [2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[4-(difluoromethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[4-(difluoromethylthio)anilino]-2-keto-ethyl] ester Formula: C24H20F2N2O3S2 MolecularWeight: 486.554006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20F2N2O3S2/c25-24(26)32-17-11-9-16(10-12-17)27-22(29)15-31-23(30)13-14-28-18-5-1-3-7-20(18)33-21-8-4-2-6-19(21)28/h1-12,24H,13-15H2,(H,27,29)