2-[3-(2-methylphenoxy)quinoxalin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(2-methylphenoxy)quinoxalin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(2-methylphenoxy)quinoxalin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(2-methylphenoxy)-2-quinoxalinyl]thio]acetic acid IUPAC Name: 2-[3-(2-methylphenoxy)quinoxalin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(2-methylphenoxy)quinoxalin-2-yl]thio]acetic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=NC3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1OC2=NC3=CC=CC=C3N=C2SCC(=O)O

InChI

InChI=1S/C17H14N2O3S/c1-11-6-2-5-9-14(11)22-16-17(23-10-15(20)21)19-13-8-4-3-7-12(13)18-16/h2-9H,10H2,1H3,(H,20,21)