3-(acetyloxymethyl)-7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(acetyloxymethyl)-7-[[(2E)-2-(2-azanyl-1,3-oxazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(acetoxymethyl)-7-[[(2E)-2-(2-aminooxazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-[[(2E)-2-(2-amino-4-oxazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(acetyloxymethyl)-7-[[(2E)-2-(2-amino-1,3-oxazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-[[(2E)-2-(2-aminooxazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H16N5O8S- MolecularWeight: 438.39194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=COC(=N3)N)SC1)C(=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)/C(=N/OC)/C3=COC(=N3)N)SC1)C(=O)[O-]

InChI

InChI=1S/C16H17N5O8S/c1-6(22)28-3-7-5-30-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-4-29-16(17)18-8/h4,10,14H,3,5H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/p-1/b20-9+