(5S)-3-(3-nitropropyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (5S)-3-(3-nitropropyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (5S)-3-(3-nitropropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (5S)-3-(3-nitropropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (5S)-3-(3-nitropropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (5S)-7-keto-3-(3-nitropropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C9H10N2O5S MolecularWeight: 258.2511

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(S2)CCC[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1[C@H]2N(C1=O)C(=C(S2)CCC[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H10N2O5S/c12-6-4-7-11(6)8(9(13)14)5(17-7)2-1-3-10(15)16/h7H,1-4H2,(H,13,14)/t7-/m0/s1