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

Systemtic Name: tert-butyl 2-[3-(cyanomethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[3-(cyanomethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[3-(cyanomethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(cyanomethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(cyanomethyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]acetic acid tert-butyl ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C(=O)N1CC#N)SC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C(=O)N1CC#N)SC=C2

InChI

InChI=1S/C14H15N3O3S2/c1-14(2,3)20-10(18)8-22-13-16-9-4-7-21-11(9)12(19)17(13)6-5-15/h4,7H,6,8H2,1-3H3