methyl 2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-3-hydroxy-propanoate CAS Name: 2-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-3-hydroxypropanoate Traditional Name: 2-[3-[(3,4-difluorophenyl)thio]propanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C13H15F2NO4S MolecularWeight: 319.324306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F2NO4S/c1-20-13(19)11(7-17)16-12(18)4-5-21-8-2-3-9(14)10(15)6-8/h2-3,6,11,17H,4-5,7H2,1H3,(H,16,18)