methyl 2-[2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-[(4-fluorophenyl)methyl]-2-quinoxalinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(4-fluorobenzyl)quinoxalin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H20FN3O3S MolecularWeight: 461.508003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H20FN3O3S/c1-32-25(31)18-6-2-3-7-19(18)28-23(30)15-33-24-22(14-16-10-12-17(26)13-11-16)27-20-8-4-5-9-21(20)29-24/h2-13H,14-15H2,1H3,(H,28,30)