6-[2-(1-adamantyl)-1-oxidanyl-2-oxidanylidene-ethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[2-(1-adamantyl)-1-oxidanyl-2-oxidanylidene-ethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[2-(1-adamantyl)-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[2-(1-adamantyl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[2-(1-adamantyl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[2-(1-adamantyl)-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(C(=O)C34CC5CC(C3)CC(C5)C4)O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C(=O)C34CC5CC(C3)CC(C5)C4)O)C(=O)O)C

InChI

InChI=1S/C20H27NO5S/c1-19(2)14(18(25)26)21-16(24)12(17(21)27-19)13(22)15(23)20-6-9-3-10(7-20)5-11(4-9)8-20/h9-14,17,22H,3-8H2,1-2H3,(H,25,26)