6-[2-(4-dimethylaminophenyl)-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-(4-dimethylaminophenyl)-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-(4-dimethylaminophenyl)-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-(4-dimethylaminophenyl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[2-(4-dimethylaminophenyl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[2-(4-dimethylaminophenyl)-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(C(=O)C3=CC=C(C=C3)N(C)C)O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C(=O)C3=CC=C(C=C3)N(C)C)O)C(=O)O)C

InChI

InChI=1S/C18H22N2O5S/c1-18(2)14(17(24)25)20-15(23)11(16(20)26-18)13(22)12(21)9-5-7-10(8-6-9)19(3)4/h5-8,11,13-14,16,22H,1-4H3,(H,24,25)