sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(E)-2-(1,2,3-thiadiazol-4-yl)ethenyl]-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-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(E)-2-(1,2,3-thiadiazol-4-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-3-[(E)-2-(thiadiazol-4-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-3-[(E)-2-(4-thiadiazolyl)ethenyl]-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-hydroxyiminoacetyl]amino]-8-oxo-3-[(E)-2-(thiadiazol-4-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-[(E)-2-(thiadiazol-4-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H12N7NaO5S3 MolecularWeight: 501.49515

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)[O-])C=CC4=CSN=N4.[Na+]

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/O)/C3=CSC(=N3)N)C(=O)[O-])/C=C/C4=CSN=N4.[Na+]

InChI

InChI=1S/C16H13N7O5S3.Na/c17-16-18-8(5-30-16)9(21-28)12(24)19-10-13(25)23-11(15(26)27)6(3-29-14(10)23)1-2-7-4-31-22-20-7;/h1-2,4-5,10,14,28H,3H2,(H2,17,18)(H,19,24)(H,26,27);/q;+1/p-1/b2-1+,21-9+;