sodium 6-[2-[2-hydroxyethyl(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-[2-hydroxyethyl(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-[1-hydroxy-2-[N-(2-hydroxyethyl)anilino]-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-[1-hydroxy-2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-[1-hydroxy-2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[1-hydroxy-2-[N-(2-hydroxyethyl)anilino]-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C18H21N2NaO6S MolecularWeight: 416.42391

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(C(=O)N(CCO)C3=CC=CC=C3)O)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C(=O)N(CCO)C3=CC=CC=C3)O)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C18H22N2O6S.Na/c1-18(2)13(17(25)26)20-14(23)11(16(20)27-18)12(22)15(24)19(8-9-21)10-6-4-3-5-7-10;/h3-7,11-13,16,21-22H,8-9H2,1-2H3,(H,25,26);/q;+1/p-1