sodium 6-[2-[ethyl(phenyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 6-[2-[ethyl(phenyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[2-(N-ethylanilino)-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-[2-(N-ethylanilino)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-[2-(N-ethylanilino)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[2-(N-ethylanilino)-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C18H21N2NaO5S MolecularWeight: 400.42451

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C2C3N(C2=O)C(C(S3)(C)C)C(=O)[O-])O.[Na+]

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C(C2C3N(C2=O)C(C(S3)(C)C)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C18H22N2O5S.Na/c1-4-19(10-8-6-5-7-9-10)15(23)12(21)11-14(22)20-13(17(24)25)18(2,3)26-16(11)20;/h5-9,11-13,16,21H,4H2,1-3H3,(H,24,25);/q;+1/p-1