[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate CAS Name: 2-[(2-fluorophenyl)methylthio]benzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(2-fluorobenzyl)thio]benzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CC=C3F

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CC=C3F

InChI

InChI=1S/C21H22FNO3S/c22-18-11-5-1-7-15(18)14-27-19-12-6-4-10-17(19)21(25)26-13-20(24)23-16-8-2-3-9-16/h1,4-7,10-12,16H,2-3,8-9,13-14H2,(H,23,24)