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

Systemtic Name: ethyl 2-(6-ethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(6-ethyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(6-ethyl-4-oxo-3-phenethyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-ethyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(6-ethyl-4-keto-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid ethyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)OCC

InChI

InChI=1S/C20H22N2O3S2/c1-3-15-12-16-18(27-15)21-20(26-13-17(23)25-4-2)22(19(16)24)11-10-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11,13H2,1-2H3