(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[[(3Z)-3-[2,5-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1,2-oxazol-5-yl]methoxyimino]ethanoyl]amino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[[(3Z)-3-[2,5-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1,2-oxazol-5-yl]methoxyimino]ethanoyl]amino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[[(3Z)-3-(2,5-dichloro-3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)isoxazol-5-yl]methoxyimino]acetyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[[(3Z)-3-(2,5-dichloro-3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-5-isoxazolyl]methoxyimino]-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[[(3Z)-3-(2,5-dichloro-3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]methoxyimino]acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[[(3Z)-3-(2,5-dichloro-3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-4-isoxazolin-5-yl]methyloximino]acetyl]amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H18Cl2N6O8S2 MolecularWeight: 653.47112

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC3=CC(=C4C=C(C(=O)C(=C4Cl)O)Cl)NO3)C5=CSC(=N5)N)SC1)C(=O)O

Isomeric SMILES

C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC3=C/C(=C/4\C=C(C(=O)C(=C4Cl)O)Cl)/NO3)/C5=CSC(=N5)N)SC1)C(=O)O

InChI

InChI=1S/C24H18Cl2N6O8S2/c1-2-8-6-41-22-16(21(36)32(22)17(8)23(37)38)29-20(35)15(13-7-42-24(27)28-13)31-39-5-9-3-12(30-40-9)10-4-11(25)18(33)19(34)14(10)26/h2-4,7,16,22,30,34H,1,5-6H2,(H2,27,28)(H,29,35)(H,37,38)/b12-10-,31-15-/t16-,22-/m1/s1