tert-butyl 2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(2-fluorophenyl)methyl]-2-quinoxalinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(2-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(2-fluorobenzyl)quinoxalin-2-yl]thio]acetic acid tert-butyl ester Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC=CC=C3F

InChI

InChI=1S/C21H21FN2O2S/c1-21(2,3)26-19(25)13-27-20-18(12-14-8-4-5-9-15(14)22)23-16-10-6-7-11-17(16)24-20/h4-11H,12-13H2,1-3H3