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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2(CC(CCO2)C(=O)OC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=NC=CN1CC2(CC(CCO2)C(=O)OC3=CC=CC=C3)SC4=CC=CC=C4

InChI

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