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

Systemtic Name: (2R)-2-(6-ethyl-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)butanoate Openeye Name: (2R)-2-(6-ethyl-2-methylsulfanyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)butanoate CAS Name: (2R)-2-[6-ethyl-2-(methylthio)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoate IUPAC Name: (2R)-2-(6-ethyl-2-methylsulfanyl-4-oxothieno[2,3-d]pyrimidin-3-yl)butanoate Traditional Name: (2R)-2-[6-ethyl-4-keto-2-(methylthio)thieno[2,3-d]pyrimidin-3-yl]butyrate Formula: C13H15N2O3S2- MolecularWeight: 311.3998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)C(CC)C(=O)[O-])SC

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)[C@H](CC)C(=O)[O-])SC

InChI

InChI=1S/C13H16N2O3S2/c1-4-7-6-8-10(20-7)14-13(19-3)15(11(8)16)9(5-2)12(17)18/h6,9H,4-5H2,1-3H3,(H,17,18)/p-1/t9-/m1/s1