2-(3,6-diethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2-(3,6-diethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: 2-(3,6-diethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(3,6-diethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetate IUPAC Name: 2-(3,6-diethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(3,6-diethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetate Formula: C12H13N2O3S2- MolecularWeight: 297.37322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3S2/c1-3-7-5-8-10(19-7)13-12(18-6-9(15)16)14(4-2)11(8)17/h5H,3-4,6H2,1-2H3,(H,15,16)/p-1