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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: 4-[[5-(4-chlorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[5-(4-chlorophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoate IUPAC Name: 4-[[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[[5-(4-chlorophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Formula: C20H12ClN2O3S- MolecularWeight: 395.83888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C20H13ClN2O3S/c21-15-7-5-13(6-8-15)16-10-27-18-17(16)19(24)23(11-22-18)9-12-1-3-14(4-2-12)20(25)26/h1-8,10-11H,9H2,(H,25,26)/p-1