4-(2-methylimidazol-1-yl)-2,3-diphenyl-2-sulfanyl-oxane-4-carboxylic acid

Systemtic Name: 4-(2-methylimidazol-1-yl)-2,3-diphenyl-2-sulfanyl-oxane-4-carboxylic acid Openeye Name: 4-(2-methylimidazol-1-yl)-2,3-diphenyl-2-sulfanyl-tetrahydropyran-4-carboxylic acid CAS Name: 2-mercapto-4-(2-methyl-1-imidazolyl)-2,3-diphenyl-4-oxanecarboxylic acid IUPAC Name: 4-(2-methylimidazol-1-yl)-2,3-diphenyl-2-sulfanyloxane-4-carboxylic acid Traditional Name: 2-mercapto-4-(2-methylimidazol-1-yl)-2,3-diphenyl-tetrahydropyran-4-carboxylic acid Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2(CCOC(C2C3=CC=CC=C3)(C4=CC=CC=C4)S)C(=O)O

Isomeric SMILES

CC1=NC=CN1C2(CCOC(C2C3=CC=CC=C3)(C4=CC=CC=C4)S)C(=O)O

InChI

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