sodium 3-(dibenzothiophen-1-yloxymethyl)-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 3-(dibenzothiophen-1-yloxymethyl)-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(dibenzothiophen-1-yloxymethyl)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(1-dibenzothiophenyloxymethyl)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(dibenzothiophen-1-yloxymethyl)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-(dibenzothiophen-1-yloxymethyl)-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C23H20NNaO5S MolecularWeight: 445.46337

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1COC3=C4C5=CC=CC=C5SC4=CC=C3)C(=O)[O-])C(C)O.[Na+]

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1COC3=C4C5=CC=CC=C5SC4=CC=C3)C(=O)[O-])C(C)O.[Na+]

InChI

InChI=1S/C23H21NO5S.Na/c1-11-14(21(23(27)28)24-20(11)18(12(2)25)22(24)26)10-29-15-7-5-9-17-19(15)13-6-3-4-8-16(13)30-17;/h3-9,11-12,18,20,25H,10H2,1-2H3,(H,27,28);/q;+1/p-1