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

Systemtic Name: methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-hydroxy-propanoate CAS Name: 2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-hydroxypropanoate Traditional Name: 2-[3-[(4-fluorophenyl)thio]propanoylamino]-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)CCSC1=CC=C(C=C1)F

Isomeric SMILES

COC(=O)C(CO)NC(=O)CCSC1=CC=C(C=C1)F

InChI

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