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

Systemtic Name: 2-[(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanoate Openeye Name: 2-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetate CAS Name: 2-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetate IUPAC Name: 2-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(6-carbethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetate Formula: C13H13N2O5S2- MolecularWeight: 341.38272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSCC(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSCC(=O)[O-])C

InChI

InChI=1S/C13H14N2O5S2/c1-3-20-13(19)10-6(2)9-11(18)14-7(15-12(9)22-10)4-21-5-8(16)17/h3-5H2,1-2H3,(H,16,17)(H,14,15,18)/p-1