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

Systemtic Name: sodium 3-(acetamidomethylsulfanyl)-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(acetamidomethylsulfanyl)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(acetamidomethylthio)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(acetamidomethylsulfanyl)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-(acetamidomethylthio)-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H17N2NaO5S MolecularWeight: 336.33925

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SCNC(=O)C)C(=O)[O-])C(C)O.[Na+]

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SCNC(=O)C)C(=O)[O-])C(C)O.[Na+]

InChI

InChI=1S/C13H18N2O5S.Na/c1-5-9-8(6(2)16)12(18)15(9)10(13(19)20)11(5)21-4-14-7(3)17;/h5-6,8-9,16H,4H2,1-3H3,(H,14,17)(H,19,20);/q;+1/p-1