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

Systemtic Name: 3-(acetyloxymethyl)-4-(2-azanyl-1,3-thiazol-4-yl)-4-[[(2E)-2-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(acetoxymethyl)-4-(2-aminothiazol-4-yl)-4-[[(2E)-2-(1,5-dihydroxy-4-oxo-2-pyridyl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-4-(2-amino-4-thiazolyl)-4-[[(2E)-2-(1,5-dihydroxy-4-oxo-2-pyridinyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(acetyloxymethyl)-4-(2-amino-1,3-thiazol-4-yl)-4-[[(2E)-2-(1,5-dihydroxy-4-oxopyridin-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-4-(2-aminothiazol-4-yl)-4-[[(2E)-2-(1,5-dihydroxy-4-keto-2-pyridyl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H19N6O10S2- MolecularWeight: 579.53976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(CC2=O)SC1(C3=CSC(=N3)N)NC(=O)C(=NOC)C4=CC(=O)C(=CN4O)O)C(=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(CC2=O)SC1(C3=CSC(=N3)N)NC(=O)/C(=N/OC)/C4=CC(=O)C(=CN4O)O)C(=O)[O-]

InChI

InChI=1S/C21H20N6O10S2/c1-8(28)37-6-9-17(19(33)34)27-14(31)4-15(27)39-21(9,13-7-38-20(22)23-13)24-18(32)16(25-36-2)10-3-11(29)12(30)5-26(10)35/h3,5,7,15,30,35H,4,6H2,1-2H3,(H2,22,23)(H,24,32)(H,33,34)/p-1/b25-16+