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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O4S/c1-4-30-20-10-8-18(9-11-20)21-14-32-23-22(21)24(28)27(15-26-23)13-17-6-5-7-19(12-17)25(29)31-16(2)3/h5-12,14-16H,4,13H2,1-3H3