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

Systemtic Name: (4-fluorophenyl)methyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate Openeye Name: (4-fluorophenyl)methyl 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]acetic acid (4-fluorobenzyl) 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)NCC(=O)OCC2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FNO4S/c1-15(24)28-14-18(11-16-5-3-2-4-6-16)21(26)23-12-20(25)27-13-17-7-9-19(22)10-8-17/h2-10,18H,11-14H2,1H3,(H,23,26)