sodium (6R,7S)-3-(2-acetamidoethylsulfanyl)-7-ethyl-7-methoxy-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium (6R,7S)-3-(2-acetamidoethylsulfanyl)-7-ethyl-7-methoxy-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (6R,7S)-3-(2-acetamidoethylsulfanyl)-7-ethyl-7-methoxy-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (6R,7S)-3-(2-acetamidoethylthio)-7-ethyl-7-methoxy-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (6R,7S)-3-(2-acetamidoethylsulfanyl)-7-ethyl-7-methoxy-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (6R,7S)-3-(2-acetamidoethylthio)-7-ethyl-8-keto-7-methoxy-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H21N2NaO5S MolecularWeight: 364.39241

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2CCC(=C(N2C1=O)C(=O)[O-])SCCNC(=O)C)OC.[Na+]

Isomeric SMILES

CC[C@@]1([C@H]2CCC(=C(N2C1=O)C(=O)[O-])SCCNC(=O)C)OC.[Na+]

InChI

InChI=1S/C15H22N2O5S.Na/c1-4-15(22-3)11-6-5-10(23-8-7-16-9(2)18)12(13(19)20)17(11)14(15)21;/h11H,4-8H2,1-3H3,(H,16,18)(H,19,20);/q;+1/p-1/t11-,15+;/m1./s1