sodium 3,3-dimethyl-7-oxidanylidene-6-(2-prop-2-enylsulfanylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 3,3-dimethyl-7-oxidanylidene-6-(2-prop-2-enylsulfanylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[(2-allylsulfanylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 3,3-dimethyl-7-oxo-6-[[1-oxo-2-(prop-2-enylthio)ethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[[2-(allylthio)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C13H17N2NaO4S2 MolecularWeight: 352.40485

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CSCC=C)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CSCC=C)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C13H18N2O4S2.Na/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15;/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19);/q;+1/p-1