8-oxidanylidene-7-[[(2E)-2-prop-2-enoxyiminoethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-[[(2E)-2-prop-2-enoxyiminoethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-allyloxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[[(2E)-1-oxo-2-prop-2-enoxyiminoethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-[[(2E)-2-prop-2-enoxyiminoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-allyloximinoacetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

C=CCON=CC(=O)NC1C2N(C1=O)C(=CCS2)C(=O)O

Isomeric SMILES

C=CCO/N=C/C(=O)NC1C2N(C1=O)C(=CCS2)C(=O)O

InChI

InChI=1S/C12H13N3O5S/c1-2-4-20-13-6-8(16)14-9-10(17)15-7(12(18)19)3-5-21-11(9)15/h2-3,6,9,11H,1,4-5H2,(H,14,16)(H,18,19)/b13-6+