sodium (4R,5S,6S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-pyrrolidin-1-ylcarbothioylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (4R,5S,6S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-pyrrolidin-1-ylcarbothioylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-(pyrrolidine-1-carbothioylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-(pyrrolidine-1-carbothioylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-3-(pyrrolidine-1-carbothioylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C15H19N2NaO4S2 MolecularWeight: 378.44213

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC(=S)N3CCCC3)C(=O)[O-])C(C)O.[Na+]

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC(=S)N3CCCC3)C(=O)[O-])[C@@H](C)O.[Na+]

InChI

InChI=1S/C15H20N2O4S2.Na/c1-7-10-9(8(2)18)13(19)17(10)11(14(20)21)12(7)23-15(22)16-5-3-4-6-16;/h7-10,18H,3-6H2,1-2H3,(H,20,21);/q;+1/p-1/t7-,8-,9-,10-;/m1./s1