7-azanyl-8-oxidanylidene-3-[(E)-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[(E)-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(E)-3-allyloxy-3-oxo-prop-1-enyl]sulfanyl-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[[(E)-3-oxo-3-prop-2-enoxyprop-1-enyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-[(E)-3-oxo-3-prop-2-enoxyprop-1-enyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[(E)-3-allyloxy-3-keto-prop-1-enyl]thio]-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H14N2O5S2 MolecularWeight: 342.39066

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C=CSC1=C(N2C(C(C2=O)N)SC1)C(=O)O

Isomeric SMILES

C=CCOC(=O)/C=C/SC1=C(N2C(C(C2=O)N)SC1)C(=O)O

InChI

InChI=1S/C13H14N2O5S2/c1-2-4-20-8(16)3-5-21-7-6-22-12-9(14)11(17)15(12)10(7)13(18)19/h2-3,5,9,12H,1,4,6,14H2,(H,18,19)/b5-3+