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

Systemtic Name: 3-[(3-methyl-4-oxidanylidene-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-(3-methyl-4-oxo-benzofuro[3,2-d]pyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 3-[(3-methyl-4-oxo-2-benzofuro[3,2-d]pyrimidinyl)thio]propanoic acid IUPAC Name: 3-[(3-methyl-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-keto-3-methyl-benzofuro[3,2-d]pyrimidin-2-yl)thio]propionic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3O2)N=C1SCCC(=O)O

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3O2)N=C1SCCC(=O)O

InChI

InChI=1S/C14H12N2O4S/c1-16-13(19)12-11(8-4-2-3-5-9(8)20-12)15-14(16)21-7-6-10(17)18/h2-5H,6-7H2,1H3,(H,17,18)