(4S)-4-methyl-4-oxidanyl-6-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]oxan-2-one

Systemtic Name: (4S)-4-methyl-4-oxidanyl-6-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]oxan-2-one Openeye Name: (4S)-4-hydroxy-4-methyl-6-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrahydropyran-2-one CAS Name: (4S)-4-hydroxy-4-methyl-6-[[(5-phenyl-1H-imidazol-2-yl)thio]methyl]-2-oxanone IUPAC Name: (4S)-4-hydroxy-4-methyl-6-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]oxan-2-one Traditional Name: (4S)-4-hydroxy-4-methyl-6-[[(5-phenyl-1H-imidazol-2-yl)thio]methyl]tetrahydropyran-2-one Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC(=O)C1)CSC2=NC=C(N2)C3=CC=CC=C3)O

Isomeric SMILES

C[C@@]1(CC(OC(=O)C1)CSC2=NC=C(N2)C3=CC=CC=C3)O

InChI

InChI=1S/C16H18N2O3S/c1-16(20)7-12(21-14(19)8-16)10-22-15-17-9-13(18-15)11-5-3-2-4-6-11/h2-6,9,12,20H,7-8,10H2,1H3,(H,17,18)/t12?,16-/m0/s1