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

Systemtic Name: sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-(3-oxidanylidenebutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(1,3-dioxobutoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(3-oxobutanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(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-carboxylate Formula: C18H18N5NaO8S2 MolecularWeight: 519.48399

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H19N5O8S2.Na/c1-7(24)3-10(25)31-4-8-5-32-16-12(15(27)23(16)13(8)17(28)29)21-14(26)11(22-30-2)9-6-33-18(19)20-9;/h6,12,16H,3-5H2,1-2H3,(H2,19,20)(H,21,26)(H,28,29);/q;+1/p-1/b22-11+;