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

Systemtic Name: 4-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C20H14N2O3S2 MolecularWeight: 394.46676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H14N2O3S2/c23-17-16-15(13-4-2-1-3-5-13)11-26-18(16)22-20(21-17)27-10-12-6-8-14(9-7-12)19(24)25/h1-9,11H,10H2,(H,24,25)(H,21,22,23)