methyl 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)furan-2-carboxylate

Systemtic Name: methyl 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)furan-2-carboxylate Openeye Name: methyl 5-(benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)furan-2-carboxylate CAS Name: 5-[(4-benzofuro[3,2-d]pyrimidinylthio)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)furan-2-carboxylate Traditional Name: 5-[(benzofuro[3,2-d]pyrimidin-4-ylthio)methyl]furan-2-carboxylic acid methyl ester Formula: C17H12N2O4S MolecularWeight: 340.35318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC=NC3=C2OC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC=NC3=C2OC4=CC=CC=C43

InChI

InChI=1S/C17H12N2O4S/c1-21-17(20)13-7-6-10(22-13)8-24-16-15-14(18-9-19-16)11-4-2-3-5-12(11)23-15/h2-7,9H,8H2,1H3