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

Systemtic Name: 4-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(4-isopropylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-keto-5-p-cumenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3S2/c1-13(2)15-7-9-16(10-8-15)18-12-29-21-19(18)20(26)24-23(25-21)30-11-14-3-5-17(6-4-14)22(27)28/h3-10,12-13H,11H2,1-2H3,(H,27,28)(H,24,25,26)