4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[3-(2-furylmethyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(2-furanylmethyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(2-furfuryl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoate Formula: C21H17N2O4S2- MolecularWeight: 425.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)[O-])CC4=CC=CO4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)[O-])CC4=CC=CO4)C

InChI

InChI=1S/C21H18N2O4S2/c1-12-13(2)29-18-17(12)19(24)23(10-16-4-3-9-27-16)21(22-18)28-11-14-5-7-15(8-6-14)20(25)26/h3-9H,10-11H2,1-2H3,(H,25,26)/p-1