(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(carboxymethyloxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(carboxymethyloxyimino)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(carboxymethyloxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-(acetoxymethyl)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(carboxymethyloximino)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N6O9S2 MolecularWeight: 500.46304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=NSC(=N3)N)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=NSC(=N3)N)SC1)C(=O)O

InChI

InChI=1S/C16H16N6O9S2/c1-5(23)30-2-6-4-32-14-9(13(27)22(14)10(6)15(28)29)18-12(26)8(20-31-3-7(24)25)11-19-16(17)33-21-11/h9,14H,2-4H2,1H3,(H,18,26)(H,24,25)(H,28,29)(H2,17,19,21)/b20-8-/t9-,14-/m1/s1