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

Systemtic Name: sodium 3,3-dimethyl-7-oxidanylidene-6-(1-oxidanyl-2-oxidanylidene-2-phenylazanyl-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-(2-anilino-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-anilino-1-hydroxy-2-oxoethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-(2-anilino-1-hydroxy-2-oxoethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-(2-anilino-1-hydroxy-2-keto-ethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C16H17N2NaO5S MolecularWeight: 372.37135

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(C(=O)NC3=CC=CC=C3)O)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C(=O)NC3=CC=CC=C3)O)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C16H18N2O5S.Na/c1-16(2)11(15(22)23)18-13(21)9(14(18)24-16)10(19)12(20)17-8-6-4-3-5-7-8;/h3-7,9-11,14,19H,1-2H3,(H,17,20)(H,22,23);/q;+1/p-1