(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-benzamido-3-methyl-butanoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-benzamido-3-methyl-butanoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)OCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4S/c1-15(2)21(28-22(29)17-11-7-4-8-12-17)25(31)32-13-19-26-23(30)20-18(14-33-24(20)27-19)16-9-5-3-6-10-16/h3-12,14-15,21H,13H2,1-2H3,(H,28,29)(H,26,27,30)