methyl 4-[[5-(furan-2-yl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(furan-2-yl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(2-furyl)-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(2-furanyl)-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(2-furyl)-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C25H18N2O4S2 MolecularWeight: 474.55142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C25H18N2O4S2/c1-30-24(29)17-11-9-16(10-12-17)14-33-25-26-22-21(19(15-32-22)20-8-5-13-31-20)23(28)27(25)18-6-3-2-4-7-18/h2-13,15H,14H2,1H3