sodium (6E)-3-(2-acetamidoethylsulfinyl)-7-oxidanylidene-6-(1-oxidanylpropan-2-ylidene)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (6E)-3-(2-acetamidoethylsulfinyl)-7-oxidanylidene-6-(1-oxidanylpropan-2-ylidene)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (6E)-3-(2-acetamidoethylsulfinyl)-6-(2-hydroxy-1-methyl-ethylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (6E)-3-(2-acetamidoethylsulfinyl)-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (6E)-3-(2-acetamidoethylsulfinyl)-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (6E)-3-(2-acetamidoethylsulfinyl)-6-(2-hydroxy-1-methyl-ethylidene)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C14H17N2NaO6S MolecularWeight: 364.34935

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C2CC(=C(N2C1=O)C(=O)[O-])S(=O)CCNC(=O)C)CO.[Na+]

Isomeric SMILES

C/C(=C\1/C2CC(=C(N2C1=O)C(=O)[O-])S(=O)CCNC(=O)C)/CO.[Na+]

InChI

InChI=1S/C14H18N2O6S.Na/c1-7(6-17)11-9-5-10(23(22)4-3-15-8(2)18)12(14(20)21)16(9)13(11)19;/h9,17H,3-6H2,1-2H3,(H,15,18)(H,20,21);/q;+1/p-1/b11-7+;