methyl 4-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3,4-difluorophenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H13F2NO3S MolecularWeight: 337.341126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC(=C(C=C2)F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C16H13F2NO3S/c1-22-16(21)10-2-4-11(5-3-10)19-15(20)9-23-12-6-7-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,19,20)