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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-bromanyl-2-chloranyl-benzoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic 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 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C20H12BrClN2O3S MolecularWeight: 475.74288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C20H12BrClN2O3S/c21-12-6-7-15(22)13(8-12)20(26)27-9-16-23-18(25)17-14(10-28-19(17)24-16)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,23,24,25)