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

Systemtic Name: 6-methoxy-3,3-dimethyl-7-oxidanylidene-6-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[(2-hydroxy-2-phenyl-acetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(2-hydroxy-2-phenylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-6-(mandeloylamino)-6-methoxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6S/c1-16(2)11(13(22)23)19-14(24)17(25-3,15(19)26-16)18-12(21)10(20)9-7-5-4-6-8-9/h4-8,10-11,15,20H,1-3H3,(H,18,21)(H,22,23)