7-azanyl-8-oxidanylidene-3-[(4-oxidanyl-4-oxidanylidene-butanoyl)oxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[(4-oxidanyl-4-oxidanylidene-butanoyl)oxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(4-hydroxy-4-oxo-butanoyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[(4-hydroxy-1,4-dioxobutoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(4-hydroxy-4-oxobutanoyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[(4-hydroxy-4-keto-butanoyl)oxymethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H14N2O7S MolecularWeight: 330.31376

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)COC(=O)CCC(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)COC(=O)CCC(=O)O

InChI

InChI=1S/C12H14N2O7S/c13-8-10(18)14-9(12(19)20)5(4-22-11(8)14)3-21-7(17)2-1-6(15)16/h8,11H,1-4,13H2,(H,15,16)(H,19,20)