methyl 2-[[2-(ethanoylsulfanylmethyl)-3-(2-fluorophenyl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-3-(2-fluorophenyl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-(acetylsulfanylmethyl)-3-(2-fluorophenyl)propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-3-(2-fluorophenyl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(acetylsulfanylmethyl)-3-(2-fluorophenyl)propanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-(2-fluorophenyl)propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H24FNO4S MolecularWeight: 417.493663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1F)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1F)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H24FNO4S/c1-15(25)29-14-18(13-17-10-6-7-11-19(17)23)21(26)24-20(22(27)28-2)12-16-8-4-3-5-9-16/h3-11,18,20H,12-14H2,1-2H3,(H,24,26)