sodium (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-5-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(2S)-oxolan-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-5-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(2S)-oxolan-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-5-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-[(2S)-tetrahydrofuran-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (6R,7R)-7-[[(2Z)-2-(2-amino-5-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-3-[(2S)-2-oxolanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(2S)-oxolan-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-5-yl)-2-methyloximino-acetyl]amino]-8-keto-3-[(2S)-tetrahydrofuran-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H18N5NaO6S2 MolecularWeight: 475.47449

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CN=C(S1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C4CCCO4)C(=O)[O-].[Na+]

Isomeric SMILES

CO/N=C(\C1=CN=C(S1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)[C@@H]4CCCO4)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H19N5O6S2.Na/c1-27-21-10(9-5-19-17(18)30-9)13(23)20-11-14(24)22-12(16(25)26)7(6-29-15(11)22)8-3-2-4-28-8;/h5,8,11,15H,2-4,6H2,1H3,(H2,18,19)(H,20,23)(H,25,26);/q;+1/p-1/b21-10+;/t8-,11+,15+;/m0./s1