sodium (1R,2E,5S)-2-(2-azanyl-2-oxidanylidene-ethylidene)-6-oxidanylidene-4-phenylmethoxycarbonyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate

Systemtic Name: sodium (1R,2E,5S)-2-(2-azanyl-2-oxidanylidene-ethylidene)-6-oxidanylidene-4-phenylmethoxycarbonyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate Openeye Name: sodium (1R,2E,5S)-2-(2-amino-2-oxo-ethylidene)-4-benzyloxycarbonyl-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate CAS Name: sodium (1R,2E,5S)-2-(2-amino-2-oxoethylidene)-6-oxo-4-phenylmethoxycarbonyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate IUPAC Name: sodium (1R,2E,5S)-2-(2-amino-2-oxoethylidene)-6-oxo-4-phenylmethoxycarbonyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate Traditional Name: sodium (1R,2E,5S)-2-(2-amino-2-keto-ethylidene)-4-carbobenzoxy-6-keto-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate Formula: C15H14N3NaO7S MolecularWeight: 403.34233

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=O)N)C2C(N1C(=O)OCC3=CC=CC=C3)C(=O)N2S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1/C(=C\C(=O)N)/[C@@H]2[C@H](N1C(=O)OCC3=CC=CC=C3)C(=O)N2S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H15N3O7S.Na/c16-11(19)6-10-7-17(13-12(10)18(14(13)20)26(22,23)24)15(21)25-8-9-4-2-1-3-5-9;/h1-6,12-13H,7-8H2,(H2,16,19)(H,22,23,24);/q;+1/p-1/b10-6+;/t12-,13+;/m1./s1