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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)OC

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)OC

InChI

InChI=1S/C23H24N2O3S/c1-17-24-12-13-25(17)19-6-8-20(9-7-19)29-21-5-3-4-18(16-21)23(22(26)27-2)10-14-28-15-11-23/h3-9,12-13,16H,10-11,14-15H2,1-2H3