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

Systemtic Name: propan-2-yl 3-[(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: isopropyl 3-[(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 3-[(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 3-[(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid isopropyl ester Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O3S/c1-15(2)28-23(27)18-10-6-7-16(11-18)12-25-14-24-21-20(22(25)26)19(13-29-21)17-8-4-3-5-9-17/h3-11,13-15H,12H2,1-2H3