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

Systemtic Name: sodium (4R,5S,6S)-3-[2-hydroxyethyl(methyl)carbamothioyl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[2-hydroxyethyl(methyl)carbamothioyl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[[[2-hydroxyethyl(methyl)amino]-sulfanylidenemethyl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[2-hydroxyethyl(methyl)carbamothioyl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-hydroxyethyl(methyl)thiocarbamoyl]thio]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C14H19N2NaO5S2 MolecularWeight: 382.43083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5S2.Na/c1-6-9-8(7(2)18)12(19)16(9)10(13(20)21)11(6)23-14(22)15(3)4-5-17;/h6-9,17-18H,4-5H2,1-3H3,(H,20,21);/q;+1/p-1/t6-,7-,8-,9-;/m1./s1