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

Systemtic Name: methyl 2-(6-ethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate Openeye Name: methyl 2-(6-ethyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate CAS Name: 2-[(6-ethyl-4-oxo-3-phenethyl-2-thieno[2,3-d]pyrimidinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(6-ethyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate Traditional Name: 2-[(6-ethyl-4-keto-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionic acid methyl 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)SC(C)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SC(C)C(=O)OC

InChI

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