[(1S)-2-oxidanylidenecyclohexyl] 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO4S/c22-14-9-11-15(12-10-14)23-20(25)13-28-19-8-4-1-5-16(19)21(26)27-18-7-3-2-6-17(18)24/h1,4-5,8-12,18H,2-3,6-7,13H2,(H,23,25)/t18-/m0/s1