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

Systemtic Name: propan-2-yl 4-[[5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: isopropyl 4-[[5-(4-ethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[5-(4-ethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[[5-(4-ethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid isopropyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)OC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)OC(C)C

InChI

InChI=1S/C25H24N2O3S/c1-4-17-5-9-19(10-6-17)21-14-31-23-22(21)24(28)27(15-26-23)13-18-7-11-20(12-8-18)25(29)30-16(2)3/h5-12,14-16H,4,13H2,1-3H3