(4R,6R)-4-methyl-4-oxidanyl-6-(1H-phenanthro[9,10-d]imidazol-2-ylsulfanylmethyl)oxan-2-one

Systemtic Name: (4R,6R)-4-methyl-4-oxidanyl-6-(1H-phenanthro[9,10-d]imidazol-2-ylsulfanylmethyl)oxan-2-one Openeye Name: (4R,6R)-4-hydroxy-4-methyl-6-(1H-phenanthro[9,10-d]imidazol-2-ylsulfanylmethyl)tetrahydropyran-2-one CAS Name: (4R,6R)-4-hydroxy-4-methyl-6-[(1H-phenanthro[9,10-d]imidazol-2-ylthio)methyl]-2-oxanone IUPAC Name: (4R,6R)-4-hydroxy-4-methyl-6-(1H-phenanthro[9,10-d]imidazol-2-ylsulfanylmethyl)oxan-2-one Traditional Name: (4R,6R)-4-hydroxy-4-methyl-6-[(1H-phenanthr[9,10-d]imidazol-2-ylthio)methyl]tetrahydropyran-2-one Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC(=O)C1)CSC2=NC3=C(N2)C4=CC=CC=C4C5=CC=CC=C53)O

Isomeric SMILES

C[C@]1(C[C@@H](OC(=O)C1)CSC2=NC3=C(N2)C4=CC=CC=C4C5=CC=CC=C53)O

InChI

InChI=1S/C22H20N2O3S/c1-22(26)10-13(27-18(25)11-22)12-28-21-23-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)20(19)24-21/h2-9,13,26H,10-12H2,1H3,(H,23,24)/t13-,22-/m1/s1