3-(aminocarbonyloxymethyl)-7-[[(2E)-2-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonylamino]phenyl]-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-[[(2E)-2-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonylamino]phenyl]-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-[4-[(2-amino-3-hydroxy-3-oxo-propoxy)carbonylamino]phenyl]-2-methoxyimino-acetyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-[4-[[(2-amino-3-hydroxy-3-oxopropoxy)-oxomethyl]amino]phenyl]-2-methoxyimino-1-oxoethyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-[4-[(2-amino-3-hydroxy-3-oxopropoxy)carbonylamino]phenyl]-2-methoxyiminoacetyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-[4-[(2-amino-3-hydroxy-3-keto-propoxy)carbonylamino]phenyl]-2-methyloximino-acetyl]amino]-3-(carbamoyloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H24N6O11S MolecularWeight: 580.52456

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CC=C(C=C1)NC(=O)OCC(C(=O)O)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O

Isomeric SMILES

CO/N=C(\C1=CC=C(C=C1)NC(=O)OCC(C(=O)O)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O

InChI

InChI=1S/C22H24N6O11S/c1-37-27-13(9-2-4-11(5-3-9)25-22(36)39-7-12(23)19(31)32)16(29)26-14-17(30)28-15(20(33)34)10(6-38-21(24)35)8-40-18(14)28/h2-5,12,14,18H,6-8,23H2,1H3,(H2,24,35)(H,25,36)(H,26,29)(H,31,32)(H,33,34)/b27-13+