7-[[(2E)-2-(3-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(methoxyamino)ethanoyl]amino]-8-oxidanylidene-3-[2,2,2-tris(chloranyl)ethanoylcarbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(3-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(methoxyamino)ethanoyl]amino]-8-oxidanylidene-3-[2,2,2-tris(chloranyl)ethanoylcarbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(3-chloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-(methoxyamino)acetyl]amino]-8-oxo-3-[(2,2,2-trichloroacetyl)carbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)-2-(methoxyamino)-1-oxoethyl]amino]-8-oxo-3-[[oxo-[(2,2,2-trichloro-1-oxoethyl)amino]methoxy]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(methoxyamino)acetyl]amino]-8-oxo-3-[(2,2,2-trichloroacetyl)carbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(3-chloro-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-(methoxyamino)acetyl]amino]-8-keto-3-[(2,2,2-trichloroacetyl)carbamoyloxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H16Cl4N4O9S MolecularWeight: 630.23944

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Descriptors Computed from Structure

Canonical SMILES:

CONC(=C1C=CC(=O)C(=C1)Cl)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)NC(=O)C(Cl)(Cl)Cl)C(=O)O

Isomeric SMILES

CON/C(=C/1\C=CC(=O)C(=C1)Cl)/C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)NC(=O)C(Cl)(Cl)Cl)C(=O)O

InChI

InChI=1S/C20H16Cl4N4O9S/c1-36-27-11(7-2-3-10(29)9(21)4-7)14(30)25-12-15(31)28-13(17(32)33)8(6-38-16(12)28)5-37-19(35)26-18(34)20(22,23)24/h2-4,12,16,27H,5-6H2,1H3,(H,25,30)(H,32,33)(H,26,34,35)/b11-7+