(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl ester IUPAC Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid (5-ethoxy-2-methyl-coumaran-6-yl)methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H20N2O4S2/c1-3-24-16-7-13-6-12(2)26-17(13)8-14(16)9-25-18(23)10-28-20-15-4-5-27-19(15)21-11-22-20/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3