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

Systemtic Name: ethyl 3-[[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: ethyl 3-[[5-(4-bromophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 3-[[5-(4-bromophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 3-[[5-(4-bromophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid ethyl ester Formula: C22H17BrN2O3S MolecularWeight: 469.35098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O3S/c1-2-28-22(27)16-5-3-4-14(10-16)11-25-13-24-20-19(21(25)26)18(12-29-20)15-6-8-17(23)9-7-15/h3-10,12-13H,2,11H2,1H3