2-[6-(4-hydroxyphenyl)-5-methyl-1-[(2-methylsulfanylphenyl)methyl]-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]ethanoic acid

Systemtic Name: 2-[6-(4-hydroxyphenyl)-5-methyl-1-[(2-methylsulfanylphenyl)methyl]-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]ethanoic acid Openeye Name: 2-[6-(4-hydroxyphenyl)-5-methyl-1-[(2-methylsulfanylphenyl)methyl]-2,4-dioxo-thieno[2,3-d]pyrimidin-3-yl]acetic acid CAS Name: 2-[6-(4-hydroxyphenyl)-5-methyl-1-[[2-(methylthio)phenyl]methyl]-2,4-dioxo-3-thieno[2,3-d]pyrimidinyl]acetic acid IUPAC Name: 2-[6-(4-hydroxyphenyl)-5-methyl-1-[(2-methylsulfanylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetic acid Traditional Name: 2-[6-(4-hydroxyphenyl)-2,4-diketo-5-methyl-1-[2-(methylthio)benzyl]thieno[2,3-d]pyrimidin-3-yl]acetic acid Formula: C23H20N2O5S2 MolecularWeight: 468.5453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3SC)CC(=O)O)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3SC)CC(=O)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H20N2O5S2/c1-13-19-21(29)24(12-18(27)28)23(30)25(11-15-5-3-4-6-17(15)31-2)22(19)32-20(13)14-7-9-16(26)10-8-14/h3-10,26H,11-12H2,1-2H3,(H,27,28)