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

Systemtic Name: methyl 4-[2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-fluoro-4-methoxyphenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-fluoro-4-methoxy-benzyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H18FNO4S MolecularWeight: 363.403223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)C(=O)OC)F

InChI

InChI=1S/C18H18FNO4S/c1-23-16-8-3-12(9-15(16)19)10-25-11-17(21)20-14-6-4-13(5-7-14)18(22)24-2/h3-9H,10-11H2,1-2H3,(H,20,21)