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

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]-(2-fluorophenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]-2-fluoro-anilino)acetate CAS Name: 2-(N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-2-fluoroanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]-2-fluoroanilino)acetate Traditional Name: 2-(N-[2-[(acetylthio)methyl]-3-phenyl-propanoyl]-2-fluoro-anilino)acetic acid methyl ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N(CC(=O)OC)C2=CC=CC=C2F

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N(CC(=O)OC)C2=CC=CC=C2F

InChI

InChI=1S/C21H22FNO4S/c1-15(24)28-14-17(12-16-8-4-3-5-9-16)21(26)23(13-20(25)27-2)19-11-7-6-10-18(19)22/h3-11,17H,12-14H2,1-2H3