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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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