2-[(8-chloranyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(8-chloranyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanoate Openeye Name: 2-(8-chloro-2-methyl-benzofuro[3,2-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(8-chloro-2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]acetate IUPAC Name: 2-[(8-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate Traditional Name: 2-[(8-chloro-2-methyl-benzofuro[3,2-d]pyrimidin-4-yl)thio]acetate Formula: C13H8ClN2O3S- MolecularWeight: 307.73222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCC(=O)[O-])OC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)SCC(=O)[O-])OC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C13H9ClN2O3S/c1-6-15-11-8-4-7(14)2-3-9(8)19-12(11)13(16-6)20-5-10(17)18/h2-4H,5H2,1H3,(H,17,18)/p-1