methyl 4-[[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(2-chloro-6-fluorophenyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(2-chloro-6-fluoro-benzyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H17ClFNO3S MolecularWeight: 381.848883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSCC2=C(C=CC=C2Cl)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C18H17ClFNO3S/c1-24-18(23)13-7-5-12(6-8-13)9-21-17(22)11-25-10-14-15(19)3-2-4-16(14)20/h2-8H,9-11H2,1H3,(H,21,22)