4-[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]benzoic acid

Systemtic Name: 4-[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]benzoic acid Openeye Name: 4-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]benzoic acid CAS Name: 4-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]benzoic acid IUPAC Name: 4-[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]benzoic acid Traditional Name: 4-[5-(4-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]benzoic acid Formula: C19H11ClN2O3S MolecularWeight: 382.82024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2)C(=O)O

InChI

InChI=1S/C19H11ClN2O3S/c20-13-7-5-10(6-8-13)14-9-26-18-15(14)17(23)21-16(22-18)11-1-3-12(4-2-11)19(24)25/h1-9H,(H,24,25)(H,21,22,23)