2-[4-(2-methylimidazol-1-yl)phenyl]sulfanyl-2-phenyl-oxane-4-carboxylic acid

Systemtic Name: 2-[4-(2-methylimidazol-1-yl)phenyl]sulfanyl-2-phenyl-oxane-4-carboxylic acid Openeye Name: 2-[4-(2-methylimidazol-1-yl)phenyl]sulfanyl-2-phenyl-tetrahydropyran-4-carboxylic acid CAS Name: 2-[[4-(2-methyl-1-imidazolyl)phenyl]thio]-2-phenyl-4-oxanecarboxylic acid IUPAC Name: 2-[4-(2-methylimidazol-1-yl)phenyl]sulfanyl-2-phenyloxane-4-carboxylic acid Traditional Name: 2-[[4-(2-methylimidazol-1-yl)phenyl]thio]-2-phenyl-tetrahydropyran-4-carboxylic acid Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)SC3(CC(CCO3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)SC3(CC(CCO3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3S/c1-16-23-12-13-24(16)19-7-9-20(10-8-19)28-22(18-5-3-2-4-6-18)15-17(21(25)26)11-14-27-22/h2-10,12-13,17H,11,14-15H2,1H3,(H,25,26)