4-[(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(6-methyl-4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(6-methyl-4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-keto-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C27H20N2O3S2 MolecularWeight: 484.5893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O3S2/c1-17-22(19-8-4-2-5-9-19)23-24(34-17)28-27(29(25(23)30)21-10-6-3-7-11-21)33-16-18-12-14-20(15-13-18)26(31)32/h2-15H,16H2,1H3,(H,31,32)