sodium 2-azanyl-3-[(2-carboxy-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-en-3-yl)sulfanyl]propanoate

Systemtic Name: sodium 2-azanyl-3-[(2-carboxy-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-en-3-yl)sulfanyl]propanoate Openeye Name: sodium 2-amino-3-[(2-carboxy-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl)sulfanyl]propanoate CAS Name: sodium 2-amino-3-[(2-carboxy-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl)thio]propanoate IUPAC Name: sodium 2-amino-3-[(2-carboxy-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl)sulfanyl]propanoate Traditional Name: sodium 2-amino-3-[(2-carboxy-6-ethyl-7-keto-1-azabicyclo[3.2.0]hept-2-en-3-yl)thio]propionate Formula: C12H15N2NaO5S MolecularWeight: 322.31267

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)O)SCC(C(=O)[O-])N.[Na+]

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)O)SCC(C(=O)[O-])N.[Na+]

InChI

InChI=1S/C12H16N2O5S.Na/c1-2-5-7-3-8(20-4-6(13)11(16)17)9(12(18)19)14(7)10(5)15;/h5-7H,2-4,13H2,1H3,(H,16,17)(H,18,19);/q;+1/p-1