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

Systemtic Name: methyl 4-[[2-[(3-fluorophenyl)methylsulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(3-fluorophenyl)methylsulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3-fluorophenyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(3-fluorophenyl)methylsulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3-fluorobenzyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FNO3S/c1-23-18(22)15-7-5-13(6-8-15)10-20-17(21)12-24-11-14-3-2-4-16(19)9-14/h2-9H,10-12H2,1H3,(H,20,21)