3-[(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propanoic acid IUPAC Name: 3-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(6-carbethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propionic acid Formula: C14H16N2O5S2 MolecularWeight: 356.41724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSCCC(=O)O)C

InChI

InChI=1S/C14H16N2O5S2/c1-3-21-14(20)11-7(2)10-12(19)15-8(16-13(10)23-11)6-22-5-4-9(17)18/h3-6H2,1-2H3,(H,17,18)(H,15,16,19)