tert-butyl 2-[5-(furan-2-yl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[5-(furan-2-yl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[3-allyl-5-(2-furyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[5-(2-furanyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[3-allyl-5-(2-furyl)-4-keto-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid tert-butyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1CC=C

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1CC=C

InChI

InChI=1S/C19H20N2O4S2/c1-5-8-21-17(23)15-12(13-7-6-9-24-13)10-26-16(15)20-18(21)27-11-14(22)25-19(2,3)4/h5-7,9-10H,1,8,11H2,2-4H3