methyl 2-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[2-[(4-fluorobenzyl)thio]acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C13H16FNO4S MolecularWeight: 301.333843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CSCC1=CC=C(C=C1)F

Isomeric SMILES

COC(=O)C(CO)NC(=O)CSCC1=CC=C(C=C1)F

InChI

InChI=1S/C13H16FNO4S/c1-19-13(18)11(6-16)15-12(17)8-20-7-9-2-4-10(14)5-3-9/h2-5,11,16H,6-8H2,1H3,(H,15,17)