3-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NC(=O)C(=C(N3)C)CCC(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NC(=O)C(=C(N3)C)CCC(=O)O

InChI

InChI=1S/C20H24N2O5S/c1-4-26-16-8-13-7-11(2)27-17(13)9-14(16)10-28-20-21-12(3)15(19(25)22-20)5-6-18(23)24/h8-9,11H,4-7,10H2,1-3H3,(H,23,24)(H,21,22,25)