4-[[(2E)-3-azanyl-2-methoxyimino-3-oxidanylidene-propanoyl]amino]-4-(2-azanyl-1,3-thiazol-4-yl)-8-oxidanylidene-3-(3-oxidanylidenebutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-[[(2E)-3-azanyl-2-methoxyimino-3-oxidanylidene-propanoyl]amino]-4-(2-azanyl-1,3-thiazol-4-yl)-8-oxidanylidene-3-(3-oxidanylidenebutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-[[(2E)-3-amino-2-methoxyimino-3-oxo-propanoyl]amino]-4-(2-aminothiazol-4-yl)-8-oxo-3-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-[[(2E)-3-amino-2-methoxyimino-1,3-dioxopropyl]amino]-4-(2-amino-4-thiazolyl)-3-(1,3-dioxobutoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-[[(2E)-3-amino-2-methoxyimino-3-oxopropanoyl]amino]-4-(2-amino-1,3-thiazol-4-yl)-8-oxo-3-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoacetyloxymethyl)-4-[[(2E)-3-amino-3-keto-2-methyloximino-propanoyl]amino]-4-(2-aminothiazol-4-yl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H20N6O9S2 MolecularWeight: 540.5269

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCC1=C(N2C(CC2=O)SC1(C3=CSC(=N3)N)NC(=O)C(=NOC)C(=O)N)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)OCC1=C(N2C(CC2=O)SC1(C3=CSC(=N3)N)NC(=O)/C(=N/OC)/C(=O)N)C(=O)O

InChI

InChI=1S/C19H20N6O9S2/c1-7(26)3-12(28)34-5-8-14(17(31)32)25-10(27)4-11(25)36-19(8,9-6-35-18(21)22-9)23-16(30)13(15(20)29)24-33-2/h6,11H,3-5H2,1-2H3,(H2,20,29)(H2,21,22)(H,23,30)(H,31,32)/b24-13+