sodium 3-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 3-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-[[1-(2,2-dimethyl-1-oxopropyl)-3-azetidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-3-[(1-pivaloylazetidin-3-yl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C18H25N2NaO5S MolecularWeight: 404.45627

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CN(C3)C(=O)C(C)(C)C)C(=O)[O-])C(C)O.[Na+]

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CN(C3)C(=O)C(C)(C)C)C(=O)[O-])[C@@H](C)O.[Na+]

InChI

InChI=1S/C18H26N2O5S.Na/c1-8-12-11(9(2)21)15(22)20(12)13(16(23)24)14(8)26-10-6-19(7-10)17(25)18(3,4)5;/h8-12,21H,6-7H2,1-5H3,(H,23,24);/q;+1/p-1/t8?,9-,11?,12?;/m1./s1