3-(6-ethyl-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoic acid

Systemtic Name: 3-(6-ethyl-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: 3-(6-ethyl-2-methylsulfanyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoic acid CAS Name: 3-[6-ethyl-2-(methylthio)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-(6-ethyl-2-methylsulfanyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-[6-ethyl-4-keto-2-(methylthio)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC(=O)O)SC

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC(=O)O)SC

InChI

InChI=1S/C12H14N2O3S2/c1-3-7-6-8-10(19-7)13-12(18-2)14(11(8)17)5-4-9(15)16/h6H,3-5H2,1-2H3,(H,15,16)