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

Systemtic Name: 3-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]propanoate Openeye Name: 3-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)sulfanylpropanoate CAS Name: 3-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]propanoate IUPAC Name: 3-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]propanoate Traditional Name: 3-[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio]propionate Formula: C14H11N2O3S- MolecularWeight: 287.31374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCCC(=O)[O-])OC3=CC=CC=C32

Isomeric SMILES

CC1=NC2=C(C(=N1)SCCC(=O)[O-])OC3=CC=CC=C32

InChI

InChI=1S/C14H12N2O3S/c1-8-15-12-9-4-2-3-5-10(9)19-13(12)14(16-8)20-7-6-11(17)18/h2-5H,6-7H2,1H3,(H,17,18)/p-1