methyl 3-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-fluorobenzyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H16FNO3S MolecularWeight: 333.377243

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H16FNO3S/c1-22-17(21)13-3-2-4-15(9-13)19-16(20)11-23-10-12-5-7-14(18)8-6-12/h2-9H,10-11H2,1H3,(H,19,20)