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

Systemtic Name: methyl 3-[[3-(furan-2-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[3-(2-furylmethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[3-(2-furanylmethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(furan-2-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[3-(2-furfuryl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)SC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)SC=C3

InChI

InChI=1S/C20H16N2O4S2/c1-25-19(24)14-5-2-4-13(10-14)12-28-20-21-16-7-9-27-17(16)18(23)22(20)11-15-6-3-8-26-15/h2-10H,11-12H2,1H3