(6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]methoxyimino]ethanoyl]amino]-8-oxidanylidene-3-(pyridin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]methoxyimino]ethanoyl]amino]-8-oxidanylidene-3-(pyridin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridyl)methoxyimino]acetyl]amino]-8-oxo-3-(4-pyridylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-1-oxoethyl]amino]-8-oxo-3-[(pyridin-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridin-2-yl)methoxyimino]acetyl]amino]-8-oxo-3-(pyridin-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[(1,5-dihydroxy-4-keto-2-pyridyl)methyloximino]acetyl]amino]-8-keto-3-[(4-pyridylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H21N7O8S3 MolecularWeight: 631.66064

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCC3=CC(=O)C(=CN3O)O)C4=CSC(=N4)N)C(=O)O)CSC5=CC=NC=C5

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/OCC3=CC(=O)C(=CN3O)O)/C4=CSC(=N4)N)C(=O)O)CSC5=CC=NC=C5

InChI

InChI=1S/C24H21N7O8S3/c25-24-27-14(10-42-24)17(29-39-7-12-5-15(32)16(33)6-30(12)38)20(34)28-18-21(35)31-19(23(36)37)11(9-41-22(18)31)8-40-13-1-3-26-4-2-13/h1-6,10,18,22,33,38H,7-9H2,(H2,25,27)(H,28,34)(H,36,37)/b29-17+/t18-,22-/m1/s1