methyl 2-[2-[3-(4-fluorophenyl)sulfanylpropanoyloxy]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[3-(4-fluorophenyl)sulfanylpropanoyloxy]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[3-(4-fluorophenyl)sulfanylpropanoyloxy]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[3-[(4-fluorophenyl)thio]-1-oxopropoxy]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(4-fluorophenyl)sulfanylpropanoyloxy]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[3-[(4-fluorophenyl)thio]propanoyloxy]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FNO5S/c1-27-21(26)18(13-15-5-3-2-4-6-15)23-19(24)14-28-20(25)11-12-29-17-9-7-16(22)8-10-17/h2-10,18H,11-14H2,1H3,(H,23,24)