methyl 4-[[2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3-fluoro-4-methoxyphenyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3-fluoro-4-methoxy-benzyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H20FNO4S MolecularWeight: 377.429803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NCC2=CC=C(C=C2)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NCC2=CC=C(C=C2)C(=O)OC)F

InChI

InChI=1S/C19H20FNO4S/c1-24-17-8-5-14(9-16(17)20)11-26-12-18(22)21-10-13-3-6-15(7-4-13)19(23)25-2/h3-9H,10-12H2,1-2H3,(H,21,22)