ethyl 3-[[5-(4-ethoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: ethyl 3-[[5-(4-ethoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: ethyl 3-[[5-(4-ethoxyphenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 3-[(4-keto-6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid ethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)OCC)C

InChI

InChI=1S/C25H24N2O4S/c1-4-30-20-11-9-18(10-12-20)21-16(3)32-23-22(21)24(28)27(15-26-23)14-17-7-6-8-19(13-17)25(29)31-5-2/h6-13,15H,4-5,14H2,1-3H3