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

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-4-(3-oxidanylidenebutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-4-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-4-(1,3-dioxobutoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-4-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-(acetoacetyloxymethyl)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H19N5O8S2 MolecularWeight: 497.50216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCC1C=C(N2C(S1)C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)OCC1C=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)C(=O)O

InChI

InChI=1S/C18H19N5O8S2/c1-7(24)3-11(25)31-5-8-4-10(17(28)29)23-15(27)13(16(23)33-8)21-14(26)12(22-30-2)9-6-32-18(19)20-9/h4,6,8,13,16H,3,5H2,1-2H3,(H2,19,20)(H,21,26)(H,28,29)/b22-12+