7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[(E)-prop-1-enoxy]imino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[(E)-prop-1-enoxy]imino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[(E)-prop-1-enoxy]imino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-1-oxo-2-[(E)-prop-1-enoxy]iminoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(E)-prop-1-enoxy]iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[(E)-prop-1-enyl]oximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H14N5O5S2- MolecularWeight: 408.43216

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Descriptors Computed from Structure

Canonical SMILES:

CC=CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)[O-]

Isomeric SMILES

C/C=C/O/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)[O-]

InChI

InChI=1S/C15H15N5O5S2/c1-2-4-25-19-9(7-6-27-15(16)17-7)11(21)18-10-12(22)20-8(14(23)24)3-5-26-13(10)20/h2-4,6,10,13H,5H2,1H3,(H2,16,17)(H,18,21)(H,23,24)/p-1/b4-2+,19-9+