[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclopentanecarboxylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FNO3S/c1-27-18-7-3-2-6-17(18)23-19(24)14-26-20(25)21(12-4-5-13-21)15-8-10-16(22)11-9-15/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,24)