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

Systemtic Name: 2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanoate Openeye Name: 2-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)thio]acetate IUPAC Name: 2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate Traditional Name: 2-[(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)thio]acetate Formula: C18H11N2O3S- MolecularWeight: 335.35654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)[O-])OC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)[O-])OC4=CC=CC=C43

InChI

InChI=1S/C18H12N2O3S/c21-14(22)10-24-18-16-15(12-8-4-5-9-13(12)23-16)19-17(20-18)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,22)/p-1