phenyl 2-[4-(2-methylimidazol-1-yl)phenyl]sulfanyloxane-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)SC3CC(CCO3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)SC3CC(CCO3)C(=O)OC4=CC=CC=C4

InChI

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