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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2=CC=C(C=C2)SC3(CC(CCO3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC=CN1CC2=CC=C(C=C2)SC3(CC(CCO3)C(=O)O)C4=CC=CC=C4

InChI

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