[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 1-(3-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(3-fluorophenyl)-1-cyclopentanecarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(3-fluorophenyl)cyclopentanecarboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC(=CC=C3)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FNO3S/c1-27-18-9-5-8-17(13-18)23-19(24)14-26-20(25)21(10-2-3-11-21)15-6-4-7-16(22)12-15/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,24)