8-oxidanylidene-3-[(5-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl)-prop-2-enoyloxy-methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-3-[(5-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl)-prop-2-enoyloxy-methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)-prop-2-enoyloxy-methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)-(1-oxoprop-2-enoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(5-hydroxy-4-oxo-1H-pyridin-2-yl)-prop-2-enoyloxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[acryloyloxy-(5-hydroxy-4-keto-1H-pyridin-2-yl)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OC(C1=C(N2C(CC2=O)SC1)C(=O)O)C3=CC(=O)C(=CN3)O

Isomeric SMILES

C=CC(=O)OC(C1=C(N2C(CC2=O)SC1)C(=O)O)C3=CC(=O)C(=CN3)O

InChI

InChI=1S/C16H14N2O7S/c1-2-13(22)25-15(8-3-9(19)10(20)5-17-8)7-6-26-12-4-11(21)18(12)14(7)16(23)24/h2-3,5,12,15,20H,1,4,6H2,(H,17,19)(H,23,24)