4-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-(3-methoxyphenyl)furan-2-yl]benzoic acid

Systemtic Name: 4-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-(3-methoxyphenyl)furan-2-yl]benzoic acid Openeye Name: 4-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-(3-methoxyphenyl)-2-furyl]benzoic acid CAS Name: 4-[3-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-5-(3-methoxyphenyl)-2-furanyl]benzoic acid IUPAC Name: 4-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-(3-methoxyphenyl)furan-2-yl]benzoic acid Traditional Name: 4-[3-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-5-(3-methoxyphenyl)-2-furyl]benzoic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(OC(=C2)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(OC(=C2)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C25H22N2O4S/c1-15-11-16(2)27-25(26-15)32-14-20-13-22(19-5-4-6-21(12-19)30-3)31-23(20)17-7-9-18(10-8-17)24(28)29/h4-13H,14H2,1-3H3,(H,28,29)