ethyl 4-[[5-(4-ethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: ethyl 4-[[5-(4-ethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: ethyl 4-[[5-(4-ethoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[5-(4-ethoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[(4-keto-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid ethyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C24H22N2O4S/c1-3-29-19-11-9-17(10-12-19)20-14-31-22-21(20)23(27)26(15-25-22)13-16-5-7-18(8-6-16)24(28)30-4-2/h5-12,14-15H,3-4,13H2,1-2H3