4-[3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]sulfanylphenyl]oxane-4-carboxylic acid

Systemtic Name: 4-[3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]sulfanylphenyl]oxane-4-carboxylic acid Openeye Name: 4-[3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]sulfanylphenyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[3-[[4-[(2-methyl-1-imidazolyl)methyl]phenyl]thio]phenyl]-4-oxanecarboxylic acid IUPAC Name: 4-[3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]sulfanylphenyl]oxane-4-carboxylic acid Traditional Name: 4-[3-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]thio]phenyl]tetrahydropyran-4-carboxylic acid Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)O

Isomeric SMILES

CC1=NC=CN1CC2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)O

InChI

InChI=1S/C23H24N2O3S/c1-17-24-11-12-25(17)16-18-5-7-20(8-6-18)29-21-4-2-3-19(15-21)23(22(26)27)9-13-28-14-10-23/h2-8,11-12,15H,9-10,13-14,16H2,1H3,(H,26,27)