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

Systemtic Name: propan-2-yl 4-[[5-(4-ethoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: isopropyl 4-[[5-(4-ethoxyphenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[5-(4-ethoxyphenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[(4-keto-6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid isopropyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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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=C(C=C4)C(=O)OC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S/c1-5-31-21-12-10-19(11-13-21)22-17(4)33-24-23(22)25(29)28(15-27-24)14-18-6-8-20(9-7-18)26(30)32-16(2)3/h6-13,15-16H,5,14H2,1-4H3