2,2-dimethyl-5-[(4S,5R)-3-phenyl-4-phenylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[(4S,5R)-3-phenyl-4-phenylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[(4S,5R)-3-phenyl-4-phenylsulfanyl-4,5-dihydroisoxazol-5-yl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[(4S,5R)-3-phenyl-4-(phenylthio)-4,5-dihydroisoxazol-5-yl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[(4S,5R)-3-phenyl-4-phenylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[(4S,5R)-3-phenyl-4-(phenylthio)-2-isoxazolin-5-yl]-1,3-dioxane-4,6-quinone Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C2C(C(=NO2)C3=CC=CC=C3)SC4=CC=CC=C4)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)[C@@H]2[C@H](C(=NO2)C3=CC=CC=C3)SC4=CC=CC=C4)C

InChI

InChI=1S/C21H19NO5S/c1-21(2)25-19(23)15(20(24)26-21)17-18(28-14-11-7-4-8-12-14)16(22-27-17)13-9-5-3-6-10-13/h3-12,15,17-18H,1-2H3/t17-,18+/m1/s1