[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]benzoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]benzoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 2-[4-(difluoromethylsulfanyl)anilino]benzoate CAS Name: 2-[4-(difluoromethylthio)anilino]benzoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-[4-(difluoromethylsulfanyl)anilino]benzoate Traditional Name: 2-[4-(difluoromethylthio)anilino]benzoic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C27H28F2N2O3S MolecularWeight: 498.584626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C27H28F2N2O3S/c1-27(2,3)31(17-19-9-5-4-6-10-19)24(32)18-34-25(33)22-11-7-8-12-23(22)30-20-13-15-21(16-14-20)35-26(28)29/h4-16,26,30H,17-18H2,1-3H3