sodium (3E)-3-(4-ethoxy-4-oxidanylidene-1-sulfanylidene-butan-2-ylidene)-7-oxidanylidene-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium (3E)-3-(4-ethoxy-4-oxidanylidene-1-sulfanylidene-butan-2-ylidene)-7-oxidanylidene-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (3E)-3-(3-ethoxy-1-methanethioyl-3-oxo-propylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (3E)-3-(4-ethoxy-4-oxo-1-sulfanylidenebutan-2-ylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (3E)-3-(4-ethoxy-4-oxo-1-sulfanylidenebutan-2-ylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (3E)-3-(3-ethoxy-3-keto-1-thioformyl-propylidene)-7-keto-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C12H12NNaO6S MolecularWeight: 321.28155

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=C1C(N2C(O1)CC2=O)C(=O)[O-])C=S.[Na+]

Isomeric SMILES

CCOC(=O)C/C(=C\1/C(N2C(O1)CC2=O)C(=O)[O-])/C=S.[Na+]

InChI

InChI=1S/C12H13NO6S.Na/c1-2-18-9(15)3-6(5-20)11-10(12(16)17)13-7(14)4-8(13)19-11;/h5,8,10H,2-4H2,1H3,(H,16,17);/q;+1/p-1/b11-6+;