[2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[4-(difluoromethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[4-(difluoromethylthio)anilino]-2-keto-ethyl] ester Formula: C20H21F2NO3S MolecularWeight: 393.447446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C20H21F2NO3S/c1-20(2,3)14-6-4-13(5-7-14)18(25)26-12-17(24)23-15-8-10-16(11-9-15)27-19(21)22/h4-11,19H,12H2,1-3H3,(H,23,24)