tert-butyl 2-(3-ethyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(3-ethyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(3-ethyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(3-ethyl-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-ethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(3-ethyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid tert-butyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)OC(C)(C)C)SC=C2C3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)OC(C)(C)C)SC=C2C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S2/c1-5-22-18(24)16-14(13-9-7-6-8-10-13)11-26-17(16)21-19(22)27-12-15(23)25-20(2,3)4/h6-11H,5,12H2,1-4H3