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

Systemtic Name: 3,3-dimethyl-6-oxidanyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-hydroxy-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-hydroxy-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-hydroxy-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-hydroxy-7-keto-3,3-dimethyl-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(NC(=O)COC3=CC=CC=C3)O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(NC(=O)COC3=CC=CC=C3)O)C(=O)O)C

InChI

InChI=1S/C16H18N2O6S/c1-15(2)11(12(20)21)18-13(22)16(23,14(18)25-15)17-10(19)8-24-9-6-4-3-5-7-9/h3-7,11,14,23H,8H2,1-2H3,(H,17,19)(H,20,21)